5-(3-imidazol-1-ylpropylamino)-2-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(3-imidazol-1-ylpropylamino)-2-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(3-imidazol-1-ylpropylamino)-2-[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]oxazole-4-carbonitrile CAS Name: 5-[3-(1-imidazolyl)propylamino]-2-[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(3-imidazol-1-ylpropylamino)-2-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-oxazole-4-carbonitrile Traditional Name: 5-(3-imidazol-1-ylpropylamino)-2-[4-(3-methylpiperidino)sulfonylphenyl]oxazole-4-carbonitrile Formula: C22H26N6O3S MolecularWeight: 454.54524

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCCCN4C=CN=C4)C#N

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCCCN4C=CN=C4)C#N

InChI

InChI=1S/C22H26N6O3S/c1-17-4-2-12-28(15-17)32(29,30)19-7-5-18(6-8-19)21-26-20(14-23)22(31-21)25-9-3-11-27-13-10-24-16-27/h5-8,10,13,16-17,25H,2-4,9,11-12,15H2,1H3