[2-(1-methoxypropan-2-ylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(oxolan-2-ylmethylamino)benzenesulfonate

Systemtic Name: [2-(1-methoxypropan-2-ylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(oxolan-2-ylmethylamino)benzenesulfonate Openeye Name: [2-[(2-methoxy-1-methyl-ethyl)carbamoylamino]-3H-benzimidazol-5-yl] 4-(tetrahydrofuran-2-ylmethylamino)benzenesulfonate CAS Name: 4-(2-oxolanylmethylamino)benzenesulfonic acid [2-[[(1-methoxypropan-2-ylamino)-oxomethyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(1-methoxypropan-2-ylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(oxolan-2-ylmethylamino)benzenesulfonate Traditional Name: 4-(tetrahydrofurfurylamino)benzenesulfonic acid [2-[(2-methoxy-1-methyl-ethyl)carbamoylamino]-3H-benzimidazol-5-yl] ester Formula: C23H29N5O6S MolecularWeight: 503.57126

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC(=O)NC1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)NCC4CCCO4

Isomeric SMILES

CC(COC)NC(=O)NC1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)NCC4CCCO4

InChI

InChI=1S/C23H29N5O6S/c1-15(14-32-2)25-23(29)28-22-26-20-10-7-17(12-21(20)27-22)34-35(30,31)19-8-5-16(6-9-19)24-13-18-4-3-11-33-18/h5-10,12,15,18,24H,3-4,11,13-14H2,1-2H3,(H3,25,26,27,28,29)