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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O4S2/c1-14-5-3-9-20(12-14)27(24,25)16-7-8-17(18(11-16)21(22)23)19(2)13-15-6-4-10-26-15/h4,6-8,10-11,14H,3,5,9,12-13H2,1-2H3/t14-/m0/s1