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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[1-(phenylmethyl)pyrrolidin-3-yl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(1-benzylpyrrolidin-3-yl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[1-(phenylmethyl)-3-pyrrolidinyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(1-benzylpyrrolidin-3-yl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(1-benzylpyrrolidin-3-yl)benzamide Formula: C24H31N3O3S MolecularWeight: 441.58624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O3S/c28-24(25-22-14-17-26(19-22)18-20-8-4-3-5-9-20)21-10-12-23(13-11-21)31(29,30)27-15-6-1-2-7-16-27/h3-5,8-13,22H,1-2,6-7,14-19H2,(H,25,28)