N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(p-phenetylsulfonylamino)propionamide Formula: C22H28N4O4S2 MolecularWeight: 476.61212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C22H28N4O4S2/c1-3-30-16-8-10-17(11-9-16)32(28,29)23-14-12-21(27)24-20(13-15-31-2)22-25-18-6-4-5-7-19(18)26-22/h4-11,20,23H,3,12-15H2,1-2H3,(H,24,27)(H,25,26)/t20-/m0/s1