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

Systemtic Name: (E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[4-(1-azepanylsulfonyl)phenyl]-3-(2-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-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(14-9-17-7-3-4-8-20(17)24(26)27)22-18-10-12-19(13-11-18)30(28,29)23-15-5-1-2-6-16-23/h3-4,7-14H,1-2,5-6,15-16H2,(H,22,25)/b14-9+