(3S)-N-(4-bromanyl-2-methyl-phenyl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(4-bromanyl-2-methyl-phenyl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(4-bromo-2-methyl-phenyl)-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-(4-bromo-2-methylphenyl)-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(4-bromo-2-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(4-bromo-2-methyl-phenyl)-1-(2-thienylsulfonyl)nipecotamide Formula: C17H19BrN2O3S2 MolecularWeight: 443.37836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H19BrN2O3S2/c1-12-10-14(18)6-7-15(12)19-17(21)13-4-2-8-20(11-13)25(22,23)16-5-3-9-24-16/h3,5-7,9-10,13H,2,4,8,11H2,1H3,(H,19,21)/t13-/m0/s1