2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-7,8-dimethyl-quinoline-3-carbonitrile

Systemtic Name: 2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-7,8-dimethyl-quinoline-3-carbonitrile Openeye Name: 2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-7,8-dimethyl-quinoline-3-carbonitrile CAS Name: 2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-7,8-dimethyl-3-quinolinecarbonitrile IUPAC Name: 2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-7,8-dimethylquinoline-3-carbonitrile Traditional Name: 2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-7,8-dimethyl-quinoline-3-carbonitrile Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=N2)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=N2)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC)C#N)C

InChI

InChI=1S/C24H26N4O3S/c1-17-5-6-19-15-20(16-25)24(26-23(19)18(17)2)27-11-4-12-28(14-13-27)32(29,30)22-9-7-21(31-3)8-10-22/h5-10,15H,4,11-14H2,1-3H3