N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]ethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazino]ethyl]-4-pyrrolidinosulfonyl-benzamide Formula: C26H33N5O3S2 MolecularWeight: 527.70192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)CCNC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)CCNC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5)C

InChI

InChI=1S/C26H33N5O3S2/c1-19-5-10-23-24(20(19)2)28-26(35-23)30-17-15-29(16-18-30)14-11-27-25(32)21-6-8-22(9-7-21)36(33,34)31-12-3-4-13-31/h5-10H,3-4,11-18H2,1-2H3,(H,27,32)