N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-5-(2-methoxypyrimidin-4-yl)thiophene-2-sulfonamide

Systemtic Name: N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-5-(2-methoxypyrimidin-4-yl)thiophene-2-sulfonamide Openeye Name: N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxo-pyrrolidin-3-yl]-5-(2-methoxypyrimidin-4-yl)thiophene-2-sulfonamide CAS Name: N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxo-3-pyrrolidinyl]-5-(2-methoxy-4-pyrimidinyl)-2-thiophenesulfonamide IUPAC Name: N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-5-(2-methoxypyrimidin-4-yl)thiophene-2-sulfonamide Traditional Name: N-[(3S)-1-(3-cyanobenzyl)-2-keto-pyrrolidin-3-yl]-5-(2-methoxypyrimidin-4-yl)thiophene-2-sulfonamide Formula: C21H19N5O4S2 MolecularWeight: 469.53666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=CC(=N1)C2=CC=C(S2)S(=O)(=O)NC3CCN(C3=O)CC4=CC=CC(=C4)C#N

Isomeric SMILES

COC1=NC=CC(=N1)C2=CC=C(S2)S(=O)(=O)N[C@H]3CCN(C3=O)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H19N5O4S2/c1-30-21-23-9-7-16(24-21)18-5-6-19(31-18)32(28,29)25-17-8-10-26(20(17)27)13-15-4-2-3-14(11-15)12-22/h2-7,9,11,17,25H,8,10,13H2,1H3/t17-/m0/s1