(2S)-2-[1,3-benzothiazol-2-ylsulfonyl(methyl)amino]-3-methyl-3-(1-methylindol-3-yl)butanamide

Systemtic Name: (2S)-2-[1,3-benzothiazol-2-ylsulfonyl(methyl)amino]-3-methyl-3-(1-methylindol-3-yl)butanamide Openeye Name: (2S)-2-[1,3-benzothiazol-2-ylsulfonyl(methyl)amino]-3-methyl-3-(1-methylindol-3-yl)butanamide CAS Name: (2S)-2-[1,3-benzothiazol-2-ylsulfonyl(methyl)amino]-3-methyl-3-(1-methyl-3-indolyl)butanamide IUPAC Name: (2S)-2-[1,3-benzothiazol-2-ylsulfonyl(methyl)amino]-3-methyl-3-(1-methylindol-3-yl)butanamide Traditional Name: (2S)-2-[1,3-benzothiazol-2-ylsulfonyl(methyl)amino]-3-methyl-3-(1-methylindol-3-yl)butyramide Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CN(C2=CC=CC=C21)C)C(C(=O)N)N(C)S(=O)(=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)(C1=CN(C2=CC=CC=C21)C)[C@@H](C(=O)N)N(C)S(=O)(=O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H24N4O3S2/c1-22(2,15-13-25(3)17-11-7-5-9-14(15)17)19(20(23)27)26(4)31(28,29)21-24-16-10-6-8-12-18(16)30-21/h5-13,19H,1-4H3,(H2,23,27)/t19-/m1/s1