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

Systemtic Name: 2-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-(oxolan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]-5-(tetrahydrofuran-2-ylmethylamino)oxazole-4-carbonitrile CAS Name: 2-[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-5-(2-oxolanylmethylamino)-4-oxazolecarbonitrile IUPAC Name: 2-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-(oxolan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-(3-methylpiperidino)sulfonylphenyl]-5-(tetrahydrofurfurylamino)oxazole-4-carbonitrile Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCC4CCCO4)C#N

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCC4CCCO4)C#N

InChI

InChI=1S/C21H26N4O4S/c1-15-4-2-10-25(14-15)30(26,27)18-8-6-16(7-9-18)20-24-19(12-22)21(29-20)23-13-17-5-3-11-28-17/h6-9,15,17,23H,2-5,10-11,13-14H2,1H3