N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-6-methylsulfonyl-1,3-benzothiazol-2-amine

Systemtic Name: N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-6-methylsulfonyl-1,3-benzothiazol-2-amine Openeye Name: N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-6-methylsulfonyl-1,3-benzothiazol-2-amine CAS Name: N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-6-methylsulfonyl-1,3-benzothiazol-2-amine IUPAC Name: N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-6-methylsulfonyl-1,3-benzothiazol-2-amine Traditional Name: (6-mesyl-1,3-benzothiazol-2-yl)-[2-[4-(2-methoxyphenyl)piperazino]ethyl]amine Formula: C21H26N4O3S2 MolecularWeight: 446.58614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCNC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCNC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C21H26N4O3S2/c1-28-19-6-4-3-5-18(19)25-13-11-24(12-14-25)10-9-22-21-23-17-8-7-16(30(2,26)27)15-20(17)29-21/h3-8,15H,9-14H2,1-2H3,(H,22,23)