(2S)-N-(1,3-benzothiazol-2-ylmethyl)-4-methylsulfonyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide

Systemtic Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-4-methylsulfonyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Openeye Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-4-methylsulfonyl-2-[[(E)-styryl]sulfonylamino]butanamide CAS Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-4-methylsulfonyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide IUPAC Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-4-methylsulfonyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Traditional Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-4-mesyl-2-[[(E)-styryl]sulfonylamino]butyramide Formula: C21H23N3O5S3 MolecularWeight: 493.61942

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)NCC1=NC2=CC=CC=C2S1)NS(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5S3/c1-31(26,27)13-12-18(24-32(28,29)14-11-16-7-3-2-4-8-16)21(25)22-15-20-23-17-9-5-6-10-19(17)30-20/h2-11,14,18,24H,12-13,15H2,1H3,(H,22,25)/b14-11+/t18-/m0/s1