N,N-diethyl-6-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridine-3-sulfonamide

Systemtic Name: N,N-diethyl-6-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridine-3-sulfonamide Openeye Name: N,N-diethyl-6-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]pyridine-3-sulfonamide CAS Name: N,N-diethyl-6-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-pyridinesulfonamide IUPAC Name: N,N-diethyl-6-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridine-3-sulfonamide Traditional Name: N,N-diethyl-6-(4-tosyl-1,4-diazepan-1-yl)pyridine-3-sulfonamide Formula: C21H30N4O4S2 MolecularWeight: 466.6173

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H30N4O4S2/c1-4-24(5-2)31(28,29)20-11-12-21(22-17-20)23-13-6-14-25(16-15-23)30(26,27)19-9-7-18(3)8-10-19/h7-12,17H,4-6,13-16H2,1-3H3