5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-methoxy-N-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[4-(pyrrolidine-1-carbonyl)benzyl]benzamide Formula: C26H33N3O5S MolecularWeight: 499.62232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCC3=CC=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCC3=CC=C(C=C3)C(=O)N4CCCC4

InChI

InChI=1S/C26H33N3O5S/c1-34-24-13-12-22(35(32,33)29-16-4-2-3-5-17-29)18-23(24)25(30)27-19-20-8-10-21(11-9-20)26(31)28-14-6-7-15-28/h8-13,18H,2-7,14-17,19H2,1H3,(H,27,30)