4-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2-morpholin-4-ium-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine

Systemtic Name: 4-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2-morpholin-4-ium-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine Openeye Name: 4-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2-morpholin-4-ium-4-ylethyl)-N-phenyl-thiazol-2-imine CAS Name: 4-[3-(1-azepanylsulfonyl)phenyl]-3-[2-(4-morpholin-4-iumyl)ethyl]-N-phenyl-2-thiazolimine IUPAC Name: 4-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2-morpholin-4-ium-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine Traditional Name: [4-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2-morpholin-4-ium-4-ylethyl)-4-thiazolin-2-ylidene]-phenyl-amine Formula: C27H35N4O3S2+ MolecularWeight: 527.7218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=CSC(=NC4=CC=CC=C4)N3CC[NH+]5CCOCC5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=CSC(=NC4=CC=CC=C4)N3CC[NH+]5CCOCC5

InChI

InChI=1S/C27H34N4O3S2/c32-36(33,30-13-6-1-2-7-14-30)25-12-8-9-23(21-25)26-22-35-27(28-24-10-4-3-5-11-24)31(26)16-15-29-17-19-34-20-18-29/h3-5,8-12,21-22H,1-2,6-7,13-20H2/p+1