4-(1,4-diazepan-1-yl)-2-(3,4-dimethylphenyl)sulfonyl-thieno[3,2-c]pyridine

Systemtic Name: 4-(1,4-diazepan-1-yl)-2-(3,4-dimethylphenyl)sulfonyl-thieno[3,2-c]pyridine Openeye Name: 4-(1,4-diazepan-1-yl)-2-(3,4-dimethylphenyl)sulfonyl-thieno[3,2-c]pyridine CAS Name: 4-(1,4-diazepan-1-yl)-2-(3,4-dimethylphenyl)sulfonylthieno[3,2-c]pyridine IUPAC Name: 4-(1,4-diazepan-1-yl)-2-(3,4-dimethylphenyl)sulfonylthieno[3,2-c]pyridine Traditional Name: 4-(1,4-diazepan-1-yl)-2-(3,4-dimethylphenyl)sulfonyl-thieno[3,2-c]pyridine Formula: C20H23N3O2S2 MolecularWeight: 401.54552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2=CC3=C(S2)C=CN=C3N4CCCNCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2=CC3=C(S2)C=CN=C3N4CCCNCC4)C

InChI

InChI=1S/C20H23N3O2S2/c1-14-4-5-16(12-15(14)2)27(24,25)19-13-17-18(26-19)6-8-22-20(17)23-10-3-7-21-9-11-23/h4-6,8,12-13,21H,3,7,9-11H2,1-2H3