N-[(2S)-4-methyl-1-[3-[methyl-(2-methylsulfonylphenyl)sulfonyl-amino]propylamino]-1-oxidanylidene-pentan-2-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(2S)-4-methyl-1-[3-[methyl-(2-methylsulfonylphenyl)sulfonyl-amino]propylamino]-1-oxidanylidene-pentan-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[(1S)-3-methyl-1-[3-[methyl-(2-methylsulfonylphenyl)sulfonyl-amino]propylcarbamoyl]butyl]benzothiophene-2-carboxamide CAS Name: N-[(2S)-4-methyl-1-[3-[methyl-(2-methylsulfonylphenyl)sulfonylamino]propylamino]-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2S)-4-methyl-1-[3-[methyl-(2-methylsulfonylphenyl)sulfonylamino]propylamino]-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: N-[(1S)-1-[3-[(2-mesylphenyl)sulfonyl-methyl-amino]propylcarbamoyl]-3-methyl-butyl]benzothiophene-2-carboxamide Formula: C26H33N3O6S3 MolecularWeight: 579.75172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCCCN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)C)NC(=O)C2=CC3=CC=CC=C3S2

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCCCN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)C)NC(=O)C2=CC3=CC=CC=C3S2

InChI

InChI=1S/C26H33N3O6S3/c1-18(2)16-20(28-26(31)22-17-19-10-5-6-11-21(19)36-22)25(30)27-14-9-15-29(3)38(34,35)24-13-8-7-12-23(24)37(4,32)33/h5-8,10-13,17-18,20H,9,14-16H2,1-4H3,(H,27,30)(H,28,31)/t20-/m0/s1