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

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[(phenylmethyl)amino]-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(benzylamino)oxazole-4-carbonitrile CAS Name: 2-[4-(1-azepanylsulfonyl)phenyl]-5-[(phenylmethyl)amino]-4-oxazolecarbonitrile IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(benzylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(benzylamino)oxazole-4-carbonitrile Formula: C23H24N4O3S MolecularWeight: 436.52666

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCC4=CC=CC=C4)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCC4=CC=CC=C4)C#N

InChI

InChI=1S/C23H24N4O3S/c24-16-21-23(25-17-18-8-4-3-5-9-18)30-22(26-21)19-10-12-20(13-11-19)31(28,29)27-14-6-1-2-7-15-27/h3-5,8-13,25H,1-2,6-7,14-15,17H2