N-[4-[(E)-3-(azepan-1-yl)-3-oxidanylidene-prop-1-enyl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[(E)-3-(azepan-1-yl)-3-oxidanylidene-prop-1-enyl]phenyl]methanesulfonamide Openeye Name: N-[4-[(E)-3-(azepan-1-yl)-3-oxo-prop-1-enyl]phenyl]methanesulfonamide CAS Name: N-[4-[(E)-3-(1-azepanyl)-3-oxoprop-1-enyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[(E)-3-(azepan-1-yl)-3-oxoprop-1-enyl]phenyl]methanesulfonamide Traditional Name: N-[4-[(E)-3-(azepan-1-yl)-3-keto-prop-1-enyl]phenyl]methanesulfonamide Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=C(C=C1)C=CC(=O)N2CCCCCC2

Isomeric SMILES

CS(=O)(=O)NC1=CC=C(C=C1)/C=C/C(=O)N2CCCCCC2

InChI

InChI=1S/C16H22N2O3S/c1-22(20,21)17-15-9-6-14(7-10-15)8-11-16(19)18-12-4-2-3-5-13-18/h6-11,17H,2-5,12-13H2,1H3/b11-8+