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

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-cyclopropyl-N-(phenylmethyl)prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-benzyl-N-cyclopropyl-prop-2-enamide CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-N-cyclopropyl-N-(phenylmethyl)-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-benzyl-N-cyclopropylprop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-benzyl-N-cyclopropyl-acrylamide Formula: C25H30N2O3S MolecularWeight: 438.5823

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)N(CC3=CC=CC=C3)C4CC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)N(CC3=CC=CC=C3)C4CC4

InChI

InChI=1S/C25H30N2O3S/c28-25(27(23-13-14-23)20-22-8-4-3-5-9-22)17-12-21-10-15-24(16-11-21)31(29,30)26-18-6-1-2-7-19-26/h3-5,8-12,15-17,23H,1-2,6-7,13-14,18-20H2/b17-12+