[2-(phenethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(phenethylamino)benzenesulfonate

Systemtic Name: [2-(phenethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(phenethylamino)benzenesulfonate Openeye Name: [2-(phenethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(phenethylamino)benzenesulfonate CAS Name: 4-(phenethylamino)benzenesulfonic acid [2-[[oxo-(phenethylamino)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(phenethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(phenethylamino)benzenesulfonate Traditional Name: 4-(phenethylamino)benzenesulfonic acid [2-(phenethylcarbamoylamino)-3H-benzimidazol-5-yl] ester Formula: C30H29N5O4S MolecularWeight: 555.64736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C30H29N5O4S/c36-30(32-20-18-23-9-5-2-6-10-23)35-29-33-27-16-13-25(21-28(27)34-29)39-40(37,38)26-14-11-24(12-15-26)31-19-17-22-7-3-1-4-8-22/h1-16,21,31H,17-20H2,(H3,32,33,34,35,36)