(2-chlorophenyl) 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

Systemtic Name: (2-chlorophenyl) 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: (2-chlorophenyl) 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid (2-chlorophenyl) ester IUPAC Name: (2-chlorophenyl) 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid (2-chlorophenyl) ester Formula: C21H22ClNO4S MolecularWeight: 419.92168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OC3=CC=CC=C3Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OC3=CC=CC=C3Cl

InChI

InChI=1S/C21H22ClNO4S/c22-19-7-3-4-8-20(19)27-21(24)14-11-17-9-12-18(13-10-17)28(25,26)23-15-5-1-2-6-16-23/h3-4,7-14H,1-2,5-6,15-16H2