1-[5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]-4-(phenylmethyl)piperazine

Systemtic Name: 1-[5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-[5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]piperazine CAS Name: 1-[5-[4-(3,4-dichlorophenyl)sulfonyl-1-piperazinyl]-2-nitrophenyl]-4-(phenylmethyl)piperazine IUPAC Name: 1-benzyl-4-[5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-nitrophenyl]piperazine Traditional Name: 1-benzyl-4-[5-[4-(3,4-dichlorophenyl)sulfonylpiperazino]-2-nitro-phenyl]piperazine Formula: C27H29Cl2N5O4S MolecularWeight: 590.52126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)C5=CC(=C(C=C5)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)C5=CC(=C(C=C5)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C27H29Cl2N5O4S/c28-24-8-7-23(19-25(24)29)39(37,38)33-16-14-31(15-17-33)22-6-9-26(34(35)36)27(18-22)32-12-10-30(11-13-32)20-21-4-2-1-3-5-21/h1-9,18-19H,10-17,20H2