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

Systemtic Name: N-[(2S)-4-methyl-1-[3-[methyl-(2-nitrophenyl)sulfonyl-amino]propylamino]-1-oxidanylidene-pentan-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[(1S)-3-methyl-1-[3-[methyl-(2-nitrophenyl)sulfonyl-amino]propylcarbamoyl]butyl]benzothiophene-2-carboxamide CAS Name: N-[(2S)-4-methyl-1-[3-[methyl-(2-nitrophenyl)sulfonylamino]propylamino]-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2S)-4-methyl-1-[3-[methyl-(2-nitrophenyl)sulfonylamino]propylamino]-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: N-[(1S)-3-methyl-1-[3-[methyl-(2-nitrophenyl)sulfonyl-amino]propylcarbamoyl]butyl]benzothiophene-2-carboxamide Formula: C25H30N4O6S2 MolecularWeight: 546.6589

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCCCN(C)S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC3=CC=CC=C3S2

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O6S2/c1-17(2)15-19(27-25(31)22-16-18-9-4-6-11-21(18)36-22)24(30)26-13-8-14-28(3)37(34,35)23-12-7-5-10-20(23)29(32)33/h4-7,9-12,16-17,19H,8,13-15H2,1-3H3,(H,26,30)(H,27,31)/t19-/m0/s1