3-(azepan-1-ylsulfonyl)-4-methoxy-N-[1-(phenylmethyl)pyrrolidin-3-yl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[1-(phenylmethyl)pyrrolidin-3-yl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(1-benzylpyrrolidin-3-yl)-4-methoxy-benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-methoxy-N-[1-(phenylmethyl)-3-pyrrolidinyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(1-benzylpyrrolidin-3-yl)-4-methoxybenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(1-benzylpyrrolidin-3-yl)-4-methoxy-benzamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2CCN(C2)CC3=CC=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2CCN(C2)CC3=CC=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H33N3O4S/c1-32-23-12-11-21(17-24(23)33(30,31)28-14-7-2-3-8-15-28)25(29)26-22-13-16-27(19-22)18-20-9-5-4-6-10-20/h4-6,9-12,17,22H,2-3,7-8,13-16,18-19H2,1H3,(H,26,29)