5-[(2-chlorophenyl)methylamino]-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-[(2-chlorophenyl)methylamino]-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-[(2-chlorophenyl)methylamino]-2-(4-pyrrolidin-1-ylsulfonylphenyl)oxazole-4-carbonitrile CAS Name: 5-[(2-chlorophenyl)methylamino]-2-[4-(1-pyrrolidinylsulfonyl)phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-[(2-chlorophenyl)methylamino]-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-[(2-chlorobenzyl)amino]-2-(4-pyrrolidinosulfonylphenyl)oxazole-4-carbonitrile Formula: C21H19ClN4O3S MolecularWeight: 442.91856

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCC4=CC=CC=C4Cl)C#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCC4=CC=CC=C4Cl)C#N

InChI

InChI=1S/C21H19ClN4O3S/c22-18-6-2-1-5-16(18)14-24-21-19(13-23)25-20(29-21)15-7-9-17(10-8-15)30(27,28)26-11-3-4-12-26/h1-2,5-10,24H,3-4,11-12,14H2