N-[(3-chlorophenyl)methyl]-4-(4-methoxy-3-nitro-phenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-4-(4-methoxy-3-nitro-phenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-4-(4-methoxy-3-nitro-phenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-4-(4-methoxy-3-nitrophenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-(3-chlorobenzyl)-4-(4-methoxy-3-nitro-phenyl)sulfonyl-piperazine-1-carboxamide Formula: C19H21ClN4O6S MolecularWeight: 468.91124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H21ClN4O6S/c1-30-18-6-5-16(12-17(18)24(26)27)31(28,29)23-9-7-22(8-10-23)19(25)21-13-14-3-2-4-15(20)11-14/h2-6,11-12H,7-10,13H2,1H3,(H,21,25)