N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]-4-methyl-benzenesulfonamide Openeye Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-oxo-propyl]-4-methyl-benzenesulfonamide CAS Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-3-oxopropyl]-4-methylbenzenesulfonamide IUPAC Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-oxopropyl]-4-methylbenzenesulfonamide Traditional Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]-3-keto-propyl]-4-methyl-benzenesulfonamide Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H26N4O3S2/c1-17-6-8-18(9-7-17)31(28,29)23-11-10-22(27)26-14-12-25(13-15-26)16-21-24-19-4-2-3-5-20(19)30-21/h2-9,23H,10-16H2,1H3