N-butyl-4-[4-(5-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonyl-N-ethyl-benzenesulfonamide

Systemtic Name: N-butyl-4-[4-(5-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonyl-N-ethyl-benzenesulfonamide Openeye Name: N-butyl-4-[4-(5-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N-ethyl-benzenesulfonamide CAS Name: N-butyl-4-[[4-(5-chloro-4-methoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]-N-ethylbenzenesulfonamide IUPAC Name: N-butyl-4-[4-(5-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N-ethylbenzenesulfonamide Traditional Name: N-butyl-4-[4-(5-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N-ethyl-benzenesulfonamide Formula: C25H31ClN4O4S2 MolecularWeight: 551.12104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC(=C4OC)Cl

Isomeric SMILES

CCCCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC(=C4OC)Cl

InChI

InChI=1S/C25H31ClN4O4S2/c1-4-6-13-30(5-2)36(32,33)19-9-7-18(8-10-19)24(31)28-14-16-29(17-15-28)25-27-22-21(35-25)12-11-20(26)23(22)34-3/h7-12H,4-6,13-17H2,1-3H3