1-(2-methyl-3-nitro-phenyl)sulfonyl-4-(phenylmethyl)piperazine

Systemtic Name: 1-(2-methyl-3-nitro-phenyl)sulfonyl-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-(2-methyl-3-nitro-phenyl)sulfonyl-piperazine CAS Name: 1-(2-methyl-3-nitrophenyl)sulfonyl-4-(phenylmethyl)piperazine IUPAC Name: 1-benzyl-4-(2-methyl-3-nitrophenyl)sulfonylpiperazine Traditional Name: 1-benzyl-4-(2-methyl-3-nitro-phenyl)sulfonyl-piperazine Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O4S/c1-15-17(21(22)23)8-5-9-18(15)26(24,25)20-12-10-19(11-13-20)14-16-6-3-2-4-7-16/h2-9H,10-14H2,1H3