N-tert-butyl-3-nitro-4-(4-pyrrolidin-1-ylcarbonylpiperazin-1-yl)benzenesulfonamide

Systemtic Name: N-tert-butyl-3-nitro-4-(4-pyrrolidin-1-ylcarbonylpiperazin-1-yl)benzenesulfonamide Openeye Name: N-tert-butyl-3-nitro-4-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]benzenesulfonamide CAS Name: N-tert-butyl-3-nitro-4-[4-[oxo(1-pyrrolidinyl)methyl]-1-piperazinyl]benzenesulfonamide IUPAC Name: N-tert-butyl-3-nitro-4-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]benzenesulfonamide Traditional Name: N-tert-butyl-3-nitro-4-[4-(pyrrolidine-1-carbonyl)piperazino]benzenesulfonamide Formula: C19H29N5O5S MolecularWeight: 439.52906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N5O5S/c1-19(2,3)20-30(28,29)15-6-7-16(17(14-15)24(26)27)21-10-12-23(13-11-21)18(25)22-8-4-5-9-22/h6-7,14,20H,4-5,8-13H2,1-3H3