1-[4-(azepan-1-ylsulfonyl)phenyl]-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-en-1-one

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-en-1-one Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-[5-(3-nitrophenyl)-2-furyl]prop-2-en-1-one CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-3-[5-(3-nitrophenyl)-2-furanyl]-2-propen-1-one IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-en-1-one Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-[5-(3-nitrophenyl)-2-furyl]prop-2-en-1-one Formula: C25H24N2O6S MolecularWeight: 480.53286

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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=C(O3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C=CC3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H24N2O6S/c28-24(14-10-22-11-15-25(33-22)20-6-5-7-21(18-20)27(29)30)19-8-12-23(13-9-19)34(31,32)26-16-3-1-2-4-17-26/h5-15,18H,1-4,16-17H2