N,N-diethyl-4-[(E)-3-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enoyl]benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[(E)-3-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enoyl]benzenesulfonamide Openeye Name: N,N-diethyl-4-[(E)-3-[3-nitro-4-(p-tolylsulfanyl)phenyl]prop-2-enoyl]benzenesulfonamide CAS Name: N,N-diethyl-4-[(E)-3-[4-[(4-methylphenyl)thio]-3-nitrophenyl]-1-oxoprop-2-enyl]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[(E)-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]prop-2-enoyl]benzenesulfonamide Traditional Name: N,N-diethyl-4-[(E)-3-[3-nitro-4-(p-tolylthio)phenyl]acryloyl]benzenesulfonamide Formula: C26H26N2O5S2 MolecularWeight: 510.62504

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)SC3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2)SC3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C26H26N2O5S2/c1-4-27(5-2)35(32,33)23-14-10-21(11-15-23)25(29)16-8-20-9-17-26(24(18-20)28(30)31)34-22-12-6-19(3)7-13-22/h6-18H,4-5H2,1-3H3/b16-8+