ethyl 2-[[4-(1-ethylindol-5-yl)sulfonyl-1,4-diazepan-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 2-[[4-(1-ethylindol-5-yl)sulfonyl-1,4-diazepan-1-yl]carbonylamino]benzoate Openeye Name: ethyl 2-[[4-(1-ethylindol-5-yl)sulfonyl-1,4-diazepane-1-carbonyl]amino]benzoate CAS Name: 2-[[[4-[(1-ethyl-5-indolyl)sulfonyl]-1,4-diazepan-1-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[4-(1-ethylindol-5-yl)sulfonyl-1,4-diazepane-1-carbonyl]amino]benzoate Traditional Name: 2-[[4-(1-ethylindol-5-yl)sulfonyl-1,4-diazepane-1-carbonyl]amino]benzoic acid ethyl ester Formula: C25H30N4O5S MolecularWeight: 498.5945

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC2=C1C=CC(=C2)S(=O)(=O)N3CCCN(CC3)C(=O)NC4=CC=CC=C4C(=O)OCC

Isomeric SMILES

CCN1C=CC2=C1C=CC(=C2)S(=O)(=O)N3CCCN(CC3)C(=O)NC4=CC=CC=C4C(=O)OCC

InChI

InChI=1S/C25H30N4O5S/c1-3-27-15-12-19-18-20(10-11-23(19)27)35(32,33)29-14-7-13-28(16-17-29)25(31)26-22-9-6-5-8-21(22)24(30)34-4-2/h5-6,8-12,15,18H,3-4,7,13-14,16-17H2,1-2H3,(H,26,31)