3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[(1-phenyl-3-pyrrolidinyl)methyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]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)NCC3CCN(C3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC3CCN(C3)C4=CC=CC=C4

InChI

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