N,N-dibutyl-4-[4-(4-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N,N-dibutyl-4-[4-(4-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N,N-dibutyl-4-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: N,N-dibutyl-4-[[4-(4-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: N,N-dibutyl-4-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N,N-dibutyl-4-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide Formula: C26H33ClN4O3S2 MolecularWeight: 549.14822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC=C4Cl

Isomeric SMILES

CCCCN(CCCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC=C4Cl

InChI

InChI=1S/C26H33ClN4O3S2/c1-3-5-14-31(15-6-4-2)36(33,34)21-12-10-20(11-13-21)25(32)29-16-18-30(19-17-29)26-28-24-22(27)8-7-9-23(24)35-26/h7-13H,3-6,14-19H2,1-2H3