N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N4O4S2/c26-19-14-25(12-11-22-19)31(28,29)16-6-3-5-15(13-16)21(27)23-10-4-9-20-24-17-7-1-2-8-18(17)30-20/h1-3,5-8,13H,4,9-12,14H2,(H,22,26)(H,23,27)