N-cyclopropyl-2-nitro-5-[4-(phenylmethyl)sulfonylpiperazin-1-yl]aniline

Systemtic Name: N-cyclopropyl-2-nitro-5-[4-(phenylmethyl)sulfonylpiperazin-1-yl]aniline Openeye Name: 5-(4-benzylsulfonylpiperazin-1-yl)-N-cyclopropyl-2-nitro-aniline CAS Name: N-cyclopropyl-2-nitro-5-[4-(phenylmethyl)sulfonyl-1-piperazinyl]aniline IUPAC Name: 5-(4-benzylsulfonylpiperazin-1-yl)-N-cyclopropyl-2-nitroaniline Traditional Name: [5-(4-benzylsulfonylpiperazino)-2-nitro-phenyl]-cyclopropyl-amine Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O4S/c25-24(26)20-9-8-18(14-19(20)21-17-6-7-17)22-10-12-23(13-11-22)29(27,28)15-16-4-2-1-3-5-16/h1-5,8-9,14,17,21H,6-7,10-13,15H2