N-(4-butylphenyl)-4-methyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-(4-butylphenyl)-4-methyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-(4-butylphenyl)-4-methyl-3-(4-thiazol-2-ylpiperazine-1-carbonyl)benzenesulfonamide CAS Name: N-(4-butylphenyl)-4-methyl-3-[oxo-[4-(2-thiazolyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: N-(4-butylphenyl)-4-methyl-3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N-(4-butylphenyl)-4-methyl-3-(4-thiazol-2-ylpiperazine-1-carbonyl)benzenesulfonamide Formula: C25H30N4O3S2 MolecularWeight: 498.6607

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)N3CCN(CC3)C4=NC=CS4

Isomeric SMILES

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)N3CCN(CC3)C4=NC=CS4

InChI

InChI=1S/C25H30N4O3S2/c1-3-4-5-20-7-9-21(10-8-20)27-34(31,32)22-11-6-19(2)23(18-22)24(30)28-13-15-29(16-14-28)25-26-12-17-33-25/h6-12,17-18,27H,3-5,13-16H2,1-2H3