6-chloranyl-N-[(E)-2-methyl-3-phenyl-prop-2-enyl]-N-[(3R)-2-oxidanylideneazepan-3-yl]pyridine-3-sulfonamide

Systemtic Name: 6-chloranyl-N-[(E)-2-methyl-3-phenyl-prop-2-enyl]-N-[(3R)-2-oxidanylideneazepan-3-yl]pyridine-3-sulfonamide Openeye Name: 6-chloro-N-[(E)-2-methyl-3-phenyl-allyl]-N-[(3R)-2-oxoazepan-3-yl]pyridine-3-sulfonamide CAS Name: 6-chloro-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[(3R)-2-oxo-3-azepanyl]-3-pyridinesulfonamide IUPAC Name: 6-chloro-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[(3R)-2-oxoazepan-3-yl]pyridine-3-sulfonamide Traditional Name: 6-chloro-N-[(3R)-2-ketoazepan-3-yl]-N-[(E)-2-methyl-3-phenyl-allyl]pyridine-3-sulfonamide Formula: C21H24ClN3O3S MolecularWeight: 433.95156

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)CN(C2CCCCNC2=O)S(=O)(=O)C3=CN=C(C=C3)Cl

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/CN([C@@H]2CCCCNC2=O)S(=O)(=O)C3=CN=C(C=C3)Cl

InChI

InChI=1S/C21H24ClN3O3S/c1-16(13-17-7-3-2-4-8-17)15-25(19-9-5-6-12-23-21(19)26)29(27,28)18-10-11-20(22)24-14-18/h2-4,7-8,10-11,13-14,19H,5-6,9,12,15H2,1H3,(H,23,26)/b16-13+/t19-/m1/s1