(2S)-2-[(3,5-dimethylphenyl)sulfonylamino]-3-phenyl-N-(1,3-thiazol-4-ylmethyl)propanamide

Systemtic Name: (2S)-2-[(3,5-dimethylphenyl)sulfonylamino]-3-phenyl-N-(1,3-thiazol-4-ylmethyl)propanamide Openeye Name: (2S)-2-[(3,5-dimethylphenyl)sulfonylamino]-3-phenyl-N-(thiazol-4-ylmethyl)propanamide CAS Name: (2S)-2-[(3,5-dimethylphenyl)sulfonylamino]-3-phenyl-N-(4-thiazolylmethyl)propanamide IUPAC Name: (2S)-2-[(3,5-dimethylphenyl)sulfonylamino]-3-phenyl-N-(1,3-thiazol-4-ylmethyl)propanamide Traditional Name: (2S)-2-[(3,5-dimethylphenyl)sulfonylamino]-3-phenyl-N-(thiazol-4-ylmethyl)propionamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)NCC3=CSC=N3)C

Isomeric SMILES

CC1=CC(=CC(=C1)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCC3=CSC=N3)C

InChI

InChI=1S/C21H23N3O3S2/c1-15-8-16(2)10-19(9-15)29(26,27)24-20(11-17-6-4-3-5-7-17)21(25)22-12-18-13-28-14-23-18/h3-10,13-14,20,24H,11-12H2,1-2H3,(H,22,25)/t20-/m0/s1