3-nitro-N-propan-2-yl-4-(4-pyrrolidin-1-ylcarbonylpiperazin-1-yl)benzenesulfonamide

Systemtic Name: 3-nitro-N-propan-2-yl-4-(4-pyrrolidin-1-ylcarbonylpiperazin-1-yl)benzenesulfonamide Openeye Name: N-isopropyl-3-nitro-4-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]benzenesulfonamide CAS Name: 3-nitro-4-[4-[oxo(1-pyrrolidinyl)methyl]-1-piperazinyl]-N-propan-2-ylbenzenesulfonamide IUPAC Name: 3-nitro-N-propan-2-yl-4-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]benzenesulfonamide Traditional Name: N-isopropyl-3-nitro-4-[4-(pyrrolidine-1-carbonyl)piperazino]benzenesulfonamide Formula: C18H27N5O5S MolecularWeight: 425.50248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H27N5O5S/c1-14(2)19-29(27,28)15-5-6-16(17(13-15)23(25)26)20-9-11-22(12-10-20)18(24)21-7-3-4-8-21/h5-6,13-14,19H,3-4,7-12H2,1-2H3