ethyl 2-[[4-(1-methylindol-5-yl)sulfonyl-1,4-diazepan-1-yl]carbonylamino]ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C=C3)C

Isomeric SMILES

CCOC(=O)CNC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C=C3)C

InChI

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