4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-N-(2-methylpropyl)-2-nitro-aniline

Systemtic Name: 4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-N-(2-methylpropyl)-2-nitro-aniline Openeye Name: N-isobutyl-4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-aniline CAS Name: 4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-N-(2-methylpropyl)-2-nitroaniline IUPAC Name: 4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-N-(2-methylpropyl)-2-nitroaniline Traditional Name: isobutyl-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]amine Formula: C16H25N3O4S MolecularWeight: 355.4524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC(C)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H25N3O4S/c1-12(2)10-17-15-7-6-14(9-16(15)19(20)21)24(22,23)18-8-4-5-13(3)11-18/h6-7,9,12-13,17H,4-5,8,10-11H2,1-3H3/t13-/m0/s1