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

Systemtic Name: 4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-N-[(1S)-1-thiophen-2-ylethyl]aniline Openeye Name: 4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-N-[(1S)-1-(2-thienyl)ethyl]aniline CAS Name: 4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitro-N-[(1S)-1-thiophen-2-ylethyl]aniline IUPAC Name: 4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-N-[(1S)-1-thiophen-2-ylethyl]aniline Traditional Name: [4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]-[(1S)-1-(2-thienyl)ethyl]amine Formula: C18H23N3O4S2 MolecularWeight: 409.52292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC(C)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N[C@@H](C)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O4S2/c1-13-5-3-9-20(12-13)27(24,25)15-7-8-16(17(11-15)21(22)23)19-14(2)18-6-4-10-26-18/h4,6-8,10-11,13-14,19H,3,5,9,12H2,1-2H3/t13-,14-/m0/s1