5-(3-methoxypropylamino)-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(3-methoxypropylamino)-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(3-methoxypropylamino)-2-(4-pyrrolidin-1-ylsulfonylphenyl)oxazole-4-carbonitrile CAS Name: 5-(3-methoxypropylamino)-2-[4-(1-pyrrolidinylsulfonyl)phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(3-methoxypropylamino)-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(3-methoxypropylamino)-2-(4-pyrrolidinosulfonylphenyl)oxazole-4-carbonitrile Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=C(N=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C#N

Isomeric SMILES

COCCCNC1=C(N=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C#N

InChI

InChI=1S/C18H22N4O4S/c1-25-12-4-9-20-18-16(13-19)21-17(26-18)14-5-7-15(8-6-14)27(23,24)22-10-2-3-11-22/h5-8,20H,2-4,9-12H2,1H3