N-[(2S)-1-[3-[(2-chloranyl-6-methyl-phenyl)sulfonyl-methyl-amino]propylamino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(2S)-1-[3-[(2-chloranyl-6-methyl-phenyl)sulfonyl-methyl-amino]propylamino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[(1S)-1-[3-[(2-chloro-6-methyl-phenyl)sulfonyl-methyl-amino]propylcarbamoyl]-3-methyl-butyl]benzothiophene-2-carboxamide CAS Name: N-[(2S)-1-[3-[(2-chloro-6-methylphenyl)sulfonyl-methylamino]propylamino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2S)-1-[3-[(2-chloro-6-methylphenyl)sulfonyl-methylamino]propylamino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: N-[(1S)-1-[3-[(2-chloro-6-methyl-phenyl)sulfonyl-methyl-amino]propylcarbamoyl]-3-methyl-butyl]benzothiophene-2-carboxamide Formula: C26H32ClN3O4S2 MolecularWeight: 550.13298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)S(=O)(=O)N(C)CCCNC(=O)C(CC(C)C)NC(=O)C2=CC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)S(=O)(=O)N(C)CCCNC(=O)[C@H](CC(C)C)NC(=O)C2=CC3=CC=CC=C3S2

InChI

InChI=1S/C26H32ClN3O4S2/c1-17(2)15-21(29-26(32)23-16-19-10-5-6-12-22(19)35-23)25(31)28-13-8-14-30(4)36(33,34)24-18(3)9-7-11-20(24)27/h5-7,9-12,16-17,21H,8,13-15H2,1-4H3,(H,28,31)(H,29,32)/t21-/m0/s1