3-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]propan-1-one CAS Name: 3-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]propan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]propan-1-one Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3S2/c1-17-23-20-8-7-19(15-21(20)29-17)30(27,28)14-9-22(26)25-12-10-24(11-13-25)16-18-5-3-2-4-6-18/h2-8,15H,9-14,16H2,1H3