3-(azepan-1-ylsulfonyl)-N-[bis(4-dimethylaminophenyl)methylidene]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[bis(4-dimethylaminophenyl)methylidene]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[bis(4-dimethylaminophenyl)methylene]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[bis(4-dimethylaminophenyl)methylidene]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[bis(4-dimethylaminophenyl)methylidene]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[bis(4-dimethylaminophenyl)methylene]benzamide Formula: C30H36N4O3S MolecularWeight: 532.69684

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)C4=CC=C(C=C4)N(C)C

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C30H36N4O3S/c1-32(2)26-16-12-23(13-17-26)29(24-14-18-27(19-15-24)33(3)4)31-30(35)25-10-9-11-28(22-25)38(36,37)34-20-7-5-6-8-21-34/h9-19,22H,5-8,20-21H2,1-4H3