2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-N-[4-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-N-(4-piperidinosulfonylphenyl)propionamide Formula: C21H29N5O3S2 MolecularWeight: 463.61666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)SC3=NNC(=N3)C4CCCC4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)SC3=NNC(=N3)C4CCCC4

InChI

InChI=1S/C21H29N5O3S2/c1-15(30-21-23-19(24-25-21)16-7-3-4-8-16)20(27)22-17-9-11-18(12-10-17)31(28,29)26-13-5-2-6-14-26/h9-12,15-16H,2-8,13-14H2,1H3,(H,22,27)(H,23,24,25)