2-[4-(azepan-1-ylsulfonyl)phenyl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-pyrrolidin-1-yl-oxazole-4-carbonitrile CAS Name: 2-[4-(1-azepanylsulfonyl)phenyl]-5-(1-pyrrolidinyl)-4-oxazolecarbonitrile IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-pyrrolidino-oxazole-4-carbonitrile Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)N4CCCC4)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)N4CCCC4)C#N

InChI

InChI=1S/C20H24N4O3S/c21-15-18-20(23-11-5-6-12-23)27-19(22-18)16-7-9-17(10-8-16)28(25,26)24-13-3-1-2-4-14-24/h7-10H,1-6,11-14H2