(2S)-N-(1,3-benzothiazol-2-ylmethyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanamide

Systemtic Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanamide Openeye Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanamide CAS Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide IUPAC Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide Traditional Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butyramide Formula: C20H23N3O4S2 MolecularWeight: 433.54432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=NC2=CC=CC=C2S1)NS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=NC2=CC=CC=C2S1)NS(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H23N3O4S2/c1-13(2)19(23-29(25,26)15-10-8-14(27-3)9-11-15)20(24)21-12-18-22-16-6-4-5-7-17(16)28-18/h4-11,13,19,23H,12H2,1-3H3,(H,21,24)/t19-/m0/s1