N-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-N-(thiophen-3-ylmethyl)aniline

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CSC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CSC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O4S2/c1-14-5-8-20(9-6-14)27(24,25)16-3-4-17(18(11-16)21(22)23)19(2)12-15-7-10-26-13-15/h3-4,7,10-11,13-14H,5-6,8-9,12H2,1-2H3