1-[[1-(2-cyanopyrrolidin-1-yl)-6-[(4-methylphenyl)sulfonylamino]-1-oxidanylidene-hexan-2-yl]carbamoyloxy]ethyl ethanoate

Systemtic Name: 1-[[1-(2-cyanopyrrolidin-1-yl)-6-[(4-methylphenyl)sulfonylamino]-1-oxidanylidene-hexan-2-yl]carbamoyloxy]ethyl ethanoate Openeye Name: 1-[[1-(2-cyanopyrrolidine-1-carbonyl)-5-(p-tolylsulfonylamino)pentyl]carbamoyloxy]ethyl acetate CAS Name: acetic acid 1-[[[1-(2-cyano-1-pyrrolidinyl)-6-[(4-methylphenyl)sulfonylamino]-1-oxohexan-2-yl]amino]-oxomethoxy]ethyl ester IUPAC Name: 1-[[1-(2-cyanopyrrolidin-1-yl)-6-[(4-methylphenyl)sulfonylamino]-1-oxohexan-2-yl]carbamoyloxy]ethyl acetate Traditional Name: acetic acid 1-[[1-(2-cyanopyrrolidine-1-carbonyl)-5-(tosylamino)pentyl]carbamoyloxy]ethyl ester Formula: C23H32N4O7S MolecularWeight: 508.58778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCCC(C(=O)N2CCCC2C#N)NC(=O)OC(C)OC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCCC(C(=O)N2CCCC2C#N)NC(=O)OC(C)OC(=O)C

InChI

InChI=1S/C23H32N4O7S/c1-16-9-11-20(12-10-16)35(31,32)25-13-5-4-8-21(22(29)27-14-6-7-19(27)15-24)26-23(30)34-18(3)33-17(2)28/h9-12,18-19,21,25H,4-8,13-14H2,1-3H3,(H,26,30)