5-[4-(4-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]-3-(phenylmethyl)-1,2,4-thiadiazole

Systemtic Name: 5-[4-(4-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]-3-(phenylmethyl)-1,2,4-thiadiazole Openeye Name: 3-benzyl-5-[4-(4-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]-1,2,4-thiadiazole CAS Name: 5-[4-(4-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]-3-(phenylmethyl)-1,2,4-thiadiazole IUPAC Name: 3-benzyl-5-[4-(4-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]-1,2,4-thiadiazole Traditional Name: 3-benzyl-5-(4-nosyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole Formula: C20H21N5O4S2 MolecularWeight: 459.54184

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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=NC(=NS3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=NC(=NS3)CC4=CC=CC=C4

InChI

InChI=1S/C20H21N5O4S2/c26-25(27)17-7-9-18(10-8-17)31(28,29)24-12-4-11-23(13-14-24)20-21-19(22-30-20)15-16-5-2-1-3-6-16/h1-3,5-10H,4,11-15H2