6-chloranyl-2-[4-(4-methyl-3-nitro-phenyl)sulfonyl-1,4-diazepan-1-yl]-1,3-benzothiazole

Systemtic Name: 6-chloranyl-2-[4-(4-methyl-3-nitro-phenyl)sulfonyl-1,4-diazepan-1-yl]-1,3-benzothiazole Openeye Name: 6-chloro-2-[4-(4-methyl-3-nitro-phenyl)sulfonyl-1,4-diazepan-1-yl]-1,3-benzothiazole CAS Name: 6-chloro-2-[4-(4-methyl-3-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]-1,3-benzothiazole IUPAC Name: 6-chloro-2-[4-(4-methyl-3-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]-1,3-benzothiazole Traditional Name: 6-chloro-2-[4-(4-methyl-3-nitro-phenyl)sulfonyl-1,4-diazepan-1-yl]-1,3-benzothiazole Formula: C19H19ClN4O4S2 MolecularWeight: 466.96156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC4=C(S3)C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC4=C(S3)C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClN4O4S2/c1-13-3-5-15(12-17(13)24(25)26)30(27,28)23-8-2-7-22(9-10-23)19-21-16-6-4-14(20)11-18(16)29-19/h3-6,11-12H,2,7-10H2,1H3