N-(4-methylcyclohexyl)-3-nitro-4-[[(2S)-2-oxidanylpropyl]amino]benzenesulfonamide

Systemtic Name: N-(4-methylcyclohexyl)-3-nitro-4-[[(2S)-2-oxidanylpropyl]amino]benzenesulfonamide Openeye Name: 4-[[(2S)-2-hydroxypropyl]amino]-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide CAS Name: 4-[[(2S)-2-hydroxypropyl]amino]-N-(4-methylcyclohexyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-[[(2S)-2-hydroxypropyl]amino]-N-(4-methylcyclohexyl)-3-nitrobenzenesulfonamide Traditional Name: 4-[[(2S)-2-hydroxypropyl]amino]-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide Formula: C16H25N3O5S MolecularWeight: 371.4518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)NCC(C)O)[N+](=O)[O-]

Isomeric SMILES

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)NC[C@H](C)O)[N+](=O)[O-]

InChI

InChI=1S/C16H25N3O5S/c1-11-3-5-13(6-4-11)18-25(23,24)14-7-8-15(17-10-12(2)20)16(9-14)19(21)22/h7-9,11-13,17-18,20H,3-6,10H2,1-2H3/t11?,12-,13?/m0/s1