(3S)-N-(3-aminocarbonylphenyl)-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(3-aminocarbonylphenyl)-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(3-carbamoylphenyl)-1-[(5-methyl-2-thienyl)sulfonyl]piperidine-3-carboxamide CAS Name: (3S)-N-(3-carbamoylphenyl)-1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-(3-carbamoylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(3-carbamoylphenyl)-1-[(5-methyl-2-thienyl)sulfonyl]nipecotamide Formula: C18H21N3O4S2 MolecularWeight: 407.50704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=CC(=C3)C(=O)N

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NC3=CC=CC(=C3)C(=O)N

InChI

InChI=1S/C18H21N3O4S2/c1-12-7-8-16(26-12)27(24,25)21-9-3-5-14(11-21)18(23)20-15-6-2-4-13(10-15)17(19)22/h2,4,6-8,10,14H,3,5,9,11H2,1H3,(H2,19,22)(H,20,23)/t14-/m0/s1