1-(5-nitro-2-propan-2-yl-phenyl)sulfonyl-4-(phenylmethyl)piperazine

Systemtic Name: 1-(5-nitro-2-propan-2-yl-phenyl)sulfonyl-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-(2-isopropyl-5-nitro-phenyl)sulfonyl-piperazine CAS Name: 1-(5-nitro-2-propan-2-ylphenyl)sulfonyl-4-(phenylmethyl)piperazine IUPAC Name: 1-benzyl-4-(5-nitro-2-propan-2-ylphenyl)sulfonylpiperazine Traditional Name: 1-benzyl-4-(2-isopropyl-5-nitro-phenyl)sulfonyl-piperazine Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O4S/c1-16(2)19-9-8-18(23(24)25)14-20(19)28(26,27)22-12-10-21(11-13-22)15-17-6-4-3-5-7-17/h3-9,14,16H,10-13,15H2,1-2H3