4-[4-[2-(1,3-benzothiazol-2-ylamino)propanoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-[2-(1,3-benzothiazol-2-ylamino)propanoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-[2-(1,3-benzothiazol-2-ylamino)propanoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[2-(1,3-benzothiazol-2-ylamino)-1-oxopropyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-[2-(1,3-benzothiazol-2-ylamino)propanoyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-[2-(1,3-benzothiazol-2-ylamino)propanoyl]piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C20H24N6O4S2 MolecularWeight: 476.57236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CN(C(=C2)C(=O)N)C)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CN(C(=C2)C(=O)N)C)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H24N6O4S2/c1-13(22-20-23-15-5-3-4-6-17(15)31-20)19(28)25-7-9-26(10-8-25)32(29,30)14-11-16(18(21)27)24(2)12-14/h3-6,11-13H,7-10H2,1-2H3,(H2,21,27)(H,22,23)