methyl 2-[[4-(1-ethylindol-5-yl)sulfonyl-1,4-diazepan-1-yl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[4-(1-ethylindol-5-yl)sulfonyl-1,4-diazepan-1-yl]carbonylamino]ethanoate Openeye Name: methyl 2-[[4-(1-ethylindol-5-yl)sulfonyl-1,4-diazepane-1-carbonyl]amino]acetate CAS Name: 2-[[[4-[(1-ethyl-5-indolyl)sulfonyl]-1,4-diazepan-1-yl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-(1-ethylindol-5-yl)sulfonyl-1,4-diazepane-1-carbonyl]amino]acetate Traditional Name: 2-[[4-(1-ethylindol-5-yl)sulfonyl-1,4-diazepane-1-carbonyl]amino]acetic acid methyl ester Formula: C19H26N4O5S MolecularWeight: 422.49854

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC2=C1C=CC(=C2)S(=O)(=O)N3CCCN(CC3)C(=O)NCC(=O)OC

Isomeric SMILES

CCN1C=CC2=C1C=CC(=C2)S(=O)(=O)N3CCCN(CC3)C(=O)NCC(=O)OC

InChI

InChI=1S/C19H26N4O5S/c1-3-21-10-7-15-13-16(5-6-17(15)21)29(26,27)23-9-4-8-22(11-12-23)19(25)20-14-18(24)28-2/h5-7,10,13H,3-4,8-9,11-12,14H2,1-2H3,(H,20,25)