(E)-1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-nitrophenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-nitrophenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(1-azepanylsulfonyl)phenyl]-3-(3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-nitrophenyl)prop-2-en-1-one Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S/c24-21(13-8-17-6-5-7-19(16-17)23(25)26)18-9-11-20(12-10-18)29(27,28)22-14-3-1-2-4-15-22/h5-13,16H,1-4,14-15H2/b13-8+