N-(1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butanamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butyramide Formula: C18H18ClN3O3S2 MolecularWeight: 423.93682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=NC2=CC=CC=C2S1)NS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)C(C(=O)NC1=NC2=CC=CC=C2S1)NS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H18ClN3O3S2/c1-11(2)16(22-27(24,25)13-9-7-12(19)8-10-13)17(23)21-18-20-14-5-3-4-6-15(14)26-18/h3-11,16,22H,1-2H3,(H,20,21,23)