3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-(phenylmethyl)butanamide

Systemtic Name: 3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanamide CAS Name: 3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanamide Traditional Name: N-benzyl-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butyramide Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(C(C)C)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(C(C)C)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O3S2/c1-13(2)19(20(24)21-12-15-7-5-4-6-8-15)23-28(25,26)16-9-10-17-18(11-16)27-14(3)22-17/h4-11,13,19,23H,12H2,1-3H3,(H,21,24)