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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[1-(phenylmethyl)pyrrolidin-3-yl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(1-benzylpyrrolidin-3-yl)-4-chloro-benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[1-(phenylmethyl)-3-pyrrolidinyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(1-benzylpyrrolidin-3-yl)-4-chlorobenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(1-benzylpyrrolidin-3-yl)-4-chloro-benzamide Formula: C24H30ClN3O3S MolecularWeight: 476.0313

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3CCN(C3)CC4=CC=CC=C4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3CCN(C3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C24H30ClN3O3S/c25-22-11-10-20(16-23(22)32(30,31)28-13-6-1-2-7-14-28)24(29)26-21-12-15-27(18-21)17-19-8-4-3-5-9-19/h3-5,8-11,16,21H,1-2,6-7,12-15,17-18H2,(H,26,29)