5-(azepan-1-ylsulfonyl)-2-methoxy-N-[4-(phenylsulfanylmethyl)phenyl]benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[4-(phenylsulfanylmethyl)phenyl]benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[4-(phenylsulfanylmethyl)phenyl]benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-methoxy-N-[4-[(phenylthio)methyl]phenyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[4-(phenylsulfanylmethyl)phenyl]benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[4-[(phenylthio)methyl]phenyl]benzamide Formula: C27H30N2O4S2 MolecularWeight: 510.6681

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=CC=C(C=C3)CSC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=CC=C(C=C3)CSC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O4S2/c1-33-26-16-15-24(35(31,32)29-17-7-2-3-8-18-29)19-25(26)27(30)28-22-13-11-21(12-14-22)20-34-23-9-5-4-6-10-23/h4-6,9-16,19H,2-3,7-8,17-18,20H2,1H3,(H,28,30)