N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanamide

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide Traditional Name: 2-(4-besylpiperazino)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide Formula: C26H26N4O3S2 MolecularWeight: 506.63964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CN4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CN4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H26N4O3S2/c1-19-7-12-23-24(17-19)34-26(28-23)20-8-10-21(11-9-20)27-25(31)18-29-13-15-30(16-14-29)35(32,33)22-5-3-2-4-6-22/h2-12,17H,13-16,18H2,1H3,(H,27,31)