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

Systemtic Name: 6-chloranyl-2-[4-(4-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]-1,3-benzothiazole Openeye Name: 6-chloro-2-[4-(4-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]-1,3-benzothiazole CAS Name: 6-chloro-2-[4-(4-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]-1,3-benzothiazole IUPAC Name: 6-chloro-2-[4-(4-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]-1,3-benzothiazole Traditional Name: 6-chloro-2-(4-nosyl-1,4-diazepan-1-yl)-1,3-benzothiazole Formula: C18H17ClN4O4S2 MolecularWeight: 452.93498

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C18H17ClN4O4S2/c19-13-2-7-16-17(12-13)28-18(20-16)21-8-1-9-22(11-10-21)29(26,27)15-5-3-14(4-6-15)23(24)25/h2-7,12H,1,8-11H2