3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[2-phenyl-2-(1-pyrrolidinyl)ethyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-phenyl-2-pyrrolidino-ethyl)propionamide Formula: C27H37N3O3S MolecularWeight: 483.66598

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC(C3=CC=CC=C3)N4CCCC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC(C3=CC=CC=C3)N4CCCC4

InChI

InChI=1S/C27H37N3O3S/c31-27(28-22-26(29-18-8-9-19-29)24-10-4-3-5-11-24)17-14-23-12-15-25(16-13-23)34(32,33)30-20-6-1-2-7-21-30/h3-5,10-13,15-16,26H,1-2,6-9,14,17-22H2,(H,28,31)