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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[1-(phenylmethyl)pyrrolidin-3-yl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1-benzylpyrrolidin-3-yl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[1-(phenylmethyl)-3-pyrrolidinyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1-benzylpyrrolidin-3-yl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1-benzylpyrrolidin-3-yl)propionamide Formula: C26H35N3O3S MolecularWeight: 469.6394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O3S/c30-26(27-24-16-19-28(21-24)20-23-8-4-3-5-9-23)15-12-22-10-13-25(14-11-22)33(31,32)29-17-6-1-2-7-18-29/h3-5,8-11,13-14,24H,1-2,6-7,12,15-21H2,(H,27,30)