methyl 5-[[4-(6-chloranyl-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]sulfonyl]-1-methyl-pyrrole-2-carboxylate

Systemtic Name: methyl 5-[[4-(6-chloranyl-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]sulfonyl]-1-methyl-pyrrole-2-carboxylate Openeye Name: methyl 5-[[4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]sulfonyl]-1-methyl-pyrrole-2-carboxylate CAS Name: 5-[[4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]sulfonyl]-1-methyl-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]sulfonyl]-1-methylpyrrole-2-carboxylate Traditional Name: 5-[[4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]sulfonyl]-1-methyl-pyrrole-2-carboxylic acid methyl ester Formula: C19H21ClN4O4S2 MolecularWeight: 468.97744

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1S(=O)(=O)N2CCCN(CC2)C3=NC4=C(S3)C=C(C=C4)Cl)C(=O)OC

Isomeric SMILES

CN1C(=CC=C1S(=O)(=O)N2CCCN(CC2)C3=NC4=C(S3)C=C(C=C4)Cl)C(=O)OC

InChI

InChI=1S/C19H21ClN4O4S2/c1-22-15(18(25)28-2)6-7-17(22)30(26,27)24-9-3-8-23(10-11-24)19-21-14-5-4-13(20)12-16(14)29-19/h4-7,12H,3,8-11H2,1-2H3