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

Systemtic Name: 4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-N-(thiophen-2-ylmethyl)aniline Openeye Name: 4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-N-(2-thienylmethyl)aniline CAS Name: 4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitro-N-(thiophen-2-ylmethyl)aniline IUPAC Name: 4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-N-(thiophen-2-ylmethyl)aniline Traditional Name: [4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]-(2-thenyl)amine Formula: C17H21N3O4S2 MolecularWeight: 395.49634

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O4S2/c1-13-4-2-8-19(12-13)26(23,24)15-6-7-16(17(10-15)20(21)22)18-11-14-5-3-9-25-14/h3,5-7,9-10,13,18H,2,4,8,11-12H2,1H3/t13-/m0/s1