2-chloranyl-N-[[6-(3-piperazin-1-ylpropylsulfonyl)-1,3-benzothiazol-2-yl]carbamoyl]benzamide

Systemtic Name: 2-chloranyl-N-[[6-(3-piperazin-1-ylpropylsulfonyl)-1,3-benzothiazol-2-yl]carbamoyl]benzamide Openeye Name: 2-chloro-N-[[6-(3-piperazin-1-ylpropylsulfonyl)-1,3-benzothiazol-2-yl]carbamoyl]benzamide CAS Name: 2-chloro-N-[oxo-[[6-[3-(1-piperazinyl)propylsulfonyl]-1,3-benzothiazol-2-yl]amino]methyl]benzamide IUPAC Name: 2-chloro-N-[[6-(3-piperazin-1-ylpropylsulfonyl)-1,3-benzothiazol-2-yl]carbamoyl]benzamide Traditional Name: 2-chloro-N-[[6-(3-piperazinopropylsulfonyl)-1,3-benzothiazol-2-yl]carbamoyl]benzamide Formula: C22H24ClN5O4S2 MolecularWeight: 522.04006

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCCS(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CCN1)CCCS(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H24ClN5O4S2/c23-17-5-2-1-4-16(17)20(29)26-21(30)27-22-25-18-7-6-15(14-19(18)33-22)34(31,32)13-3-10-28-11-8-24-9-12-28/h1-2,4-7,14,24H,3,8-13H2,(H2,25,26,27,29,30)