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

Systemtic Name: N-[(2S)-1-[3-[(2-cyanophenyl)sulfonyl-methyl-amino]propylamino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[(1S)-1-[3-[(2-cyanophenyl)sulfonyl-methyl-amino]propylcarbamoyl]-3-methyl-butyl]benzothiophene-2-carboxamide CAS Name: N-[(2S)-1-[3-[(2-cyanophenyl)sulfonyl-methylamino]propylamino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2S)-1-[3-[(2-cyanophenyl)sulfonyl-methylamino]propylamino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: N-[(1S)-1-[3-[(2-cyanophenyl)sulfonyl-methyl-amino]propylcarbamoyl]-3-methyl-butyl]benzothiophene-2-carboxamide Formula: C26H30N4O4S2 MolecularWeight: 526.6708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCCCN(C)S(=O)(=O)C1=CC=CC=C1C#N)NC(=O)C2=CC3=CC=CC=C3S2

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCCCN(C)S(=O)(=O)C1=CC=CC=C1C#N)NC(=O)C2=CC3=CC=CC=C3S2

InChI

InChI=1S/C26H30N4O4S2/c1-18(2)15-21(29-26(32)23-16-19-9-4-6-11-22(19)35-23)25(31)28-13-8-14-30(3)36(33,34)24-12-7-5-10-20(24)17-27/h4-7,9-12,16,18,21H,8,13-15H2,1-3H3,(H,28,31)(H,29,32)/t21-/m0/s1