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

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[3-(dimethylamino)propylamino]-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[3-(dimethylamino)propylamino]oxazole-4-carbonitrile CAS Name: 2-[4-(1-azepanylsulfonyl)phenyl]-5-[3-(dimethylamino)propylamino]-4-oxazolecarbonitrile IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[3-(dimethylamino)propylamino]-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[3-(dimethylamino)propylamino]oxazole-4-carbonitrile Formula: C21H29N5O3S MolecularWeight: 431.55166

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=C(N=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C#N

Isomeric SMILES

CN(C)CCCNC1=C(N=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C#N

InChI

InChI=1S/C21H29N5O3S/c1-25(2)13-7-12-23-21-19(16-22)24-20(29-21)17-8-10-18(11-9-17)30(27,28)26-14-5-3-4-6-15-26/h8-11,23H,3-7,12-15H2,1-2H3