N-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[2-[4-(2-chlorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[2-[4-(2-chlorophenyl)sulfonylpiperazino]-2-keto-ethyl]-4-methoxy-3-nitro-benzamide Formula: C20H21ClN4O7S MolecularWeight: 496.92134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN4O7S/c1-32-17-7-6-14(12-16(17)25(28)29)20(27)22-13-19(26)23-8-10-24(11-9-23)33(30,31)18-5-3-2-4-15(18)21/h2-7,12H,8-11,13H2,1H3,(H,22,27)