N-tert-butyl-4-[3-[2-chloranyl-5-[(3-oxidanylidenepiperazin-1-yl)methyl]phenyl]-5-ethoxy-3-methyl-2-oxidanylidene-indol-1-yl]sulfonyl-2-methoxy-benzamide

Systemtic Name: N-tert-butyl-4-[3-[2-chloranyl-5-[(3-oxidanylidenepiperazin-1-yl)methyl]phenyl]-5-ethoxy-3-methyl-2-oxidanylidene-indol-1-yl]sulfonyl-2-methoxy-benzamide Openeye Name: N-tert-butyl-4-[3-[2-chloro-5-[(3-oxopiperazin-1-yl)methyl]phenyl]-5-ethoxy-3-methyl-2-oxo-indolin-1-yl]sulfonyl-2-methoxy-benzamide CAS Name: N-tert-butyl-4-[[3-[2-chloro-5-[(3-oxo-1-piperazinyl)methyl]phenyl]-5-ethoxy-3-methyl-2-oxo-1-indolyl]sulfonyl]-2-methoxybenzamide IUPAC Name: N-tert-butyl-4-[3-[2-chloro-5-[(3-oxopiperazin-1-yl)methyl]phenyl]-5-ethoxy-3-methyl-2-oxoindol-1-yl]sulfonyl-2-methoxybenzamide Traditional Name: N-tert-butyl-4-[3-[2-chloro-5-[(3-ketopiperazino)methyl]phenyl]-5-ethoxy-2-keto-3-methyl-indolin-1-yl]sulfonyl-2-methoxy-benzamide Formula: C34H39ClN4O7S MolecularWeight: 683.21406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=O)C2(C)C3=C(C=CC(=C3)CN4CCNC(=O)C4)Cl)S(=O)(=O)C5=CC(=C(C=C5)C(=O)NC(C)(C)C)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=O)C2(C)C3=C(C=CC(=C3)CN4CCNC(=O)C4)Cl)S(=O)(=O)C5=CC(=C(C=C5)C(=O)NC(C)(C)C)OC

InChI

InChI=1S/C34H39ClN4O7S/c1-7-46-22-9-13-28-26(17-22)34(5,25-16-21(8-12-27(25)35)19-38-15-14-36-30(40)20-38)32(42)39(28)47(43,44)23-10-11-24(29(18-23)45-6)31(41)37-33(2,3)4/h8-13,16-18H,7,14-15,19-20H2,1-6H3,(H,36,40)(H,37,41)