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

Systemtic Name: ethyl 2-[[4-(1-ethylindol-5-yl)sulfonyl-1,4-diazepan-1-yl]carbonylamino]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H28N4O5S MolecularWeight: 436.52512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O5S/c1-3-22-11-8-16-14-17(6-7-18(16)22)30(27,28)24-10-5-9-23(12-13-24)20(26)21-15-19(25)29-4-2/h6-8,11,14H,3-5,9-10,12-13,15H2,1-2H3,(H,21,26)