N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[2-(4-methylsulfonyl-1-piperazinyl)phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-(4-mesylpiperazino)phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C22H27N5O5S MolecularWeight: 473.54528

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O5S/c1-33(31,32)26-14-12-25(13-15-26)19-7-3-2-6-18(19)23-22(28)17-8-9-20(21(16-17)27(29)30)24-10-4-5-11-24/h2-3,6-9,16H,4-5,10-15H2,1H3,(H,23,28)