N-[3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]-2-methoxy-benzamide

Systemtic Name: N-[3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]-2-methoxy-benzamide Openeye Name: N-[3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-3-oxo-propyl]-2-methoxy-benzamide CAS Name: N-[3-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]-2-methoxybenzamide IUPAC Name: N-[3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-2-methoxybenzamide Traditional Name: N-[3-[4-(4-tert-butylphenyl)sulfonylpiperazino]-3-keto-propyl]-2-methoxy-benzamide Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCNC(=O)C3=CC=CC=C3OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCNC(=O)C3=CC=CC=C3OC

InChI

InChI=1S/C25H33N3O5S/c1-25(2,3)19-9-11-20(12-10-19)34(31,32)28-17-15-27(16-18-28)23(29)13-14-26-24(30)21-7-5-6-8-22(21)33-4/h5-12H,13-18H2,1-4H3,(H,26,30)