(3S)-1-(3-chloranyl-4-methyl-phenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(3-chloranyl-4-methyl-phenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(3-chloro-4-methyl-phenyl)sulfonyl-N-(2-thienylmethyl)piperidine-3-carboxamide CAS Name: (3S)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(3-chloro-4-methyl-phenyl)sulfonyl-N-(2-thenyl)nipecotamide Formula: C18H21ClN2O3S2 MolecularWeight: 412.95394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=CS3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NCC3=CC=CS3)Cl

InChI

InChI=1S/C18H21ClN2O3S2/c1-13-6-7-16(10-17(13)19)26(23,24)21-8-2-4-14(12-21)18(22)20-11-15-5-3-9-25-15/h3,5-7,9-10,14H,2,4,8,11-12H2,1H3,(H,20,22)/t14-/m0/s1