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

Systemtic Name: 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-N-(thiophen-2-ylmethyl)benzamide Openeye Name: 4-[(3S)-3-methyl-1-piperidyl]-3-nitro-N-(2-thienylmethyl)benzamide CAS Name: 4-[(3S)-3-methyl-1-piperidinyl]-3-nitro-N-(thiophen-2-ylmethyl)benzamide IUPAC Name: 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-N-(thiophen-2-ylmethyl)benzamide Traditional Name: 4-[(3S)-3-methylpiperidino]-3-nitro-N-(2-thenyl)benzamide Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S/c1-13-4-2-8-20(12-13)16-7-6-14(10-17(16)21(23)24)18(22)19-11-15-5-3-9-25-15/h3,5-7,9-10,13H,2,4,8,11-12H2,1H3,(H,19,22)/t13-/m0/s1