[2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-[[(2S)-1-oxidanylbutan-2-yl]amino]benzenesulfonate

Systemtic Name: [2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl] 4-[[(2S)-1-oxidanylbutan-2-yl]amino]benzenesulfonate Openeye Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[[(1S)-1-(hydroxymethyl)propyl]amino]benzenesulfonate CAS Name: 4-[[(2S)-1-hydroxybutan-2-yl]amino]benzenesulfonic acid [2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-[[(2S)-1-hydroxybutan-2-yl]amino]benzenesulfonate Traditional Name: 4-[[(1S)-1-methylolpropyl]amino]benzenesulfonic acid [2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] ester Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(N3)NC(=O)C4CC4

Isomeric SMILES

CC[C@@H](CO)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)N=C(N3)NC(=O)C4CC4

InChI

InChI=1S/C21H24N4O5S/c1-2-14(12-26)22-15-5-8-17(9-6-15)31(28,29)30-16-7-10-18-19(11-16)24-21(23-18)25-20(27)13-3-4-13/h5-11,13-14,22,26H,2-4,12H2,1H3,(H2,23,24,25,27)/t14-/m0/s1