(3S)-N-[4-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[4-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[4-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)thiazol-2-yl]-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-[4-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-thiazolyl]-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[4-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[4-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)thiazol-2-yl]-1-mesyl-nipecotamide Formula: C24H30N4O3S2 MolecularWeight: 486.65

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C3=CSC(=N3)NC(=O)C4CCCN(C4)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C3=CSC(=N3)NC(=O)[C@H]4CCCN(C4)S(=O)(=O)C

InChI

InChI=1S/C24H30N4O3S2/c1-17-14-21(18(2)28(17)13-11-19-8-5-4-6-9-19)22-16-32-24(25-22)26-23(29)20-10-7-12-27(15-20)33(3,30)31/h4-6,8-9,14,16,20H,7,10-13,15H2,1-3H3,(H,25,26,29)/t20-/m0/s1