N-[2-(4-methyl-2-phenyl-piperazin-1-yl)ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[2-(4-methyl-2-phenyl-piperazin-1-yl)ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[2-(4-methyl-2-phenyl-piperazin-1-yl)ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[2-(4-methyl-2-phenyl-1-piperazinyl)ethyl]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: 2-(4-methyl-2-phenyl-piperazino)ethyl-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C23H31N5O4S MolecularWeight: 473.58834

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)C2=CC=CC=C2)CCNC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(C(C1)C2=CC=CC=C2)CCNC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H31N5O4S/c1-25-15-16-26(23(18-25)19-7-3-2-4-8-19)14-11-24-21-10-9-20(17-22(21)28(29)30)33(31,32)27-12-5-6-13-27/h2-4,7-10,17,23-24H,5-6,11-16,18H2,1H3