3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(phenylmethyl)phenyl]prop-2-enamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(phenylmethyl)phenyl]prop-2-enamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-benzylphenyl)prop-2-enamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[2-(phenylmethyl)phenyl]-2-propenamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-benzylphenyl)prop-2-enamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-benzylphenyl)acrylamide Formula: C28H30N2O3S MolecularWeight: 474.6144

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)NC3=CC=CC=C3CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)NC3=CC=CC=C3CC4=CC=CC=C4

InChI

InChI=1S/C28H30N2O3S/c31-28(29-27-13-7-6-12-25(27)22-24-10-4-3-5-11-24)19-16-23-14-17-26(18-15-23)34(32,33)30-20-8-1-2-9-21-30/h3-7,10-19H,1-2,8-9,20-22H2,(H,29,31)