N-[1-[2-[4-(3-bromanyl-4-pyrrolidin-3-yloxy-phenyl)sulfonylpiperazin-1-yl]ethylamino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[1-[2-[4-(3-bromanyl-4-pyrrolidin-3-yloxy-phenyl)sulfonylpiperazin-1-yl]ethylamino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[1-[2-[4-(3-bromo-4-pyrrolidin-3-yloxy-phenyl)sulfonylpiperazin-1-yl]ethylcarbamoyl]-3-methyl-butyl]benzothiophene-2-carboxamide CAS Name: N-[1-[2-[4-[3-bromo-4-(3-pyrrolidinyloxy)phenyl]sulfonyl-1-piperazinyl]ethylamino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[1-[2-[4-(3-bromo-4-pyrrolidin-3-yloxyphenyl)sulfonylpiperazin-1-yl]ethylamino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: N-[1-[2-[4-(3-bromo-4-pyrrolidin-3-yloxy-phenyl)sulfonylpiperazino]ethylcarbamoyl]-3-methyl-butyl]benzothiophene-2-carboxamide Formula: C31H40BrN5O5S2 MolecularWeight: 706.7138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3CCNC3)Br)NC(=O)C4=CC5=CC=CC=C5S4

Isomeric SMILES

CC(C)CC(C(=O)NCCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3CCNC3)Br)NC(=O)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C31H40BrN5O5S2/c1-21(2)17-26(35-31(39)29-18-22-5-3-4-6-28(22)43-29)30(38)34-11-12-36-13-15-37(16-14-36)44(40,41)24-7-8-27(25(32)19-24)42-23-9-10-33-20-23/h3-8,18-19,21,23,26,33H,9-17,20H2,1-2H3,(H,34,38)(H,35,39)