N-[(2-chlorophenyl)methyl]-4-(4-methylsulfonyl-2-nitro-phenyl)piperazine-1-carboxamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-4-(4-methylsulfonyl-2-nitro-phenyl)piperazine-1-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-4-(4-methylsulfonyl-2-nitro-phenyl)piperazine-1-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinecarboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-4-(4-methylsulfonyl-2-nitrophenyl)piperazine-1-carboxamide Traditional Name: N-(2-chlorobenzyl)-4-(4-mesyl-2-nitro-phenyl)piperazine-1-carboxamide Formula: C19H21ClN4O5S MolecularWeight: 452.91184

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)NCC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)NCC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H21ClN4O5S/c1-30(28,29)15-6-7-17(18(12-15)24(26)27)22-8-10-23(11-9-22)19(25)21-13-14-4-2-3-5-16(14)20/h2-7,12H,8-11,13H2,1H3,(H,21,25)