3-(azepan-1-ylsulfonyl)-4-methoxy-N-[(3-pyrrolidin-1-ylcarbonylphenyl)methyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[(3-pyrrolidin-1-ylcarbonylphenyl)methyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-methoxy-N-[[3-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[3-(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)C(=O)NCC2=CC=CC(=C2)C(=O)N3CCCC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC2=CC=CC(=C2)C(=O)N3CCCC3)S(=O)(=O)N4CCCCCC4

InChI

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