N-(3-iodanyl-4-methyl-phenyl)-4-methoxy-3-piperazin-1-yl-benzenesulfonamide

Systemtic Name: N-(3-iodanyl-4-methyl-phenyl)-4-methoxy-3-piperazin-1-yl-benzenesulfonamide Openeye Name: N-(3-iodo-4-methyl-phenyl)-4-methoxy-3-piperazin-1-yl-benzenesulfonamide CAS Name: N-(3-iodo-4-methylphenyl)-4-methoxy-3-(1-piperazinyl)benzenesulfonamide IUPAC Name: N-(3-iodo-4-methylphenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide Traditional Name: N-(3-iodo-4-methyl-phenyl)-4-methoxy-3-piperazino-benzenesulfonamide Formula: C18H22IN3O3S MolecularWeight: 487.35505

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)N3CCNCC3)I

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)N3CCNCC3)I

InChI

InChI=1S/C18H22IN3O3S/c1-13-3-4-14(11-16(13)19)21-26(23,24)15-5-6-18(25-2)17(12-15)22-9-7-20-8-10-22/h3-6,11-12,20-21H,7-10H2,1-2H3