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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-butanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-butanamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[(3-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(=CC=C3)Cl

Isomeric SMILES

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

InChI

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