(3S)-N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[4-[4-(3-acetamidopropyl)phenyl]thiazol-2-yl]-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-[4-[4-(3-acetamidopropyl)phenyl]-2-thiazolyl]-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[4-[4-(3-acetamidopropyl)phenyl]thiazol-2-yl]-1-mesyl-nipecotamide Formula: C21H28N4O4S2 MolecularWeight: 464.60142

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3CCCN(C3)S(=O)(=O)C

Isomeric SMILES

CC(=O)NCCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)[C@H]3CCCN(C3)S(=O)(=O)C

InChI

InChI=1S/C21H28N4O4S2/c1-15(26)22-11-3-5-16-7-9-17(10-8-16)19-14-30-21(23-19)24-20(27)18-6-4-12-25(13-18)31(2,28)29/h7-10,14,18H,3-6,11-13H2,1-2H3,(H,22,26)(H,23,24,27)/t18-/m0/s1