N-[3-[[4-(2-methylphenyl)carbonyl-1,3-thiazol-2-yl]amino]propyl]thiophene-2-sulfonamide

Systemtic Name: N-[3-[[4-(2-methylphenyl)carbonyl-1,3-thiazol-2-yl]amino]propyl]thiophene-2-sulfonamide Openeye Name: N-[3-[[4-(2-methylbenzoyl)thiazol-2-yl]amino]propyl]thiophene-2-sulfonamide CAS Name: N-[3-[[4-[(2-methylphenyl)-oxomethyl]-2-thiazolyl]amino]propyl]-2-thiophenesulfonamide IUPAC Name: N-[3-[[4-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]thiophene-2-sulfonamide Traditional Name: N-[3-[(4-o-toluoylthiazol-2-yl)amino]propyl]thiophene-2-sulfonamide Formula: C18H19N3O3S3 MolecularWeight: 421.55676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C2=CSC(=N2)NCCCNS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=CC=C1C(=O)C2=CSC(=N2)NCCCNS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H19N3O3S3/c1-13-6-2-3-7-14(13)17(22)15-12-26-18(21-15)19-9-5-10-20-27(23,24)16-8-4-11-25-16/h2-4,6-8,11-12,20H,5,9-10H2,1H3,(H,19,21)