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

Systemtic Name: (E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[4-(1-azepanylsulfonyl)phenyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-nitrophenyl)acrylamide Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5S/c25-21(13-8-17-6-5-7-19(16-17)24(26)27)22-18-9-11-20(12-10-18)30(28,29)23-14-3-1-2-4-15-23/h5-13,16H,1-4,14-15H2,(H,22,25)/b13-8+