(3S)-N-(5-acetamido-2-fluoranyl-phenyl)-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(5-acetamido-2-fluoranyl-phenyl)-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(5-acetamido-2-fluoro-phenyl)-1-[(5-methyl-2-thienyl)sulfonyl]piperidine-3-carboxamide CAS Name: (3S)-N-(5-acetamido-2-fluorophenyl)-1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-(5-acetamido-2-fluorophenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(5-acetamido-2-fluoro-phenyl)-1-[(5-methyl-2-thienyl)sulfonyl]nipecotamide Formula: C19H22FN3O4S2 MolecularWeight: 439.524083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22FN3O4S2/c1-12-5-8-18(28-12)29(26,27)23-9-3-4-14(11-23)19(25)22-17-10-15(21-13(2)24)6-7-16(17)20/h5-8,10,14H,3-4,9,11H2,1-2H3,(H,21,24)(H,22,25)/t14-/m0/s1