N-[4-(1,4-diazepan-1-yl)-2-[ethyl(methylsulfonyl)amino]phenyl]quinoline-7-sulfonamide

Systemtic Name: N-[4-(1,4-diazepan-1-yl)-2-[ethyl(methylsulfonyl)amino]phenyl]quinoline-7-sulfonamide Openeye Name: N-[4-(1,4-diazepan-1-yl)-2-[ethyl(methylsulfonyl)amino]phenyl]quinoline-7-sulfonamide CAS Name: N-[4-(1,4-diazepan-1-yl)-2-[ethyl(methylsulfonyl)amino]phenyl]-7-quinolinesulfonamide IUPAC Name: N-[4-(1,4-diazepan-1-yl)-2-[ethyl(methylsulfonyl)amino]phenyl]quinoline-7-sulfonamide Traditional Name: N-[4-(1,4-diazepan-1-yl)-2-[ethyl(mesyl)amino]phenyl]quinoline-7-sulfonamide Formula: C23H29N5O4S2 MolecularWeight: 503.63746

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C=CC(=C1)N2CCCNCC2)NS(=O)(=O)C3=CC4=C(C=CC=N4)C=C3)S(=O)(=O)C

Isomeric SMILES

CCN(C1=C(C=CC(=C1)N2CCCNCC2)NS(=O)(=O)C3=CC4=C(C=CC=N4)C=C3)S(=O)(=O)C

InChI

InChI=1S/C23H29N5O4S2/c1-3-28(33(2,29)30)23-16-19(27-14-5-11-24-13-15-27)8-10-21(23)26-34(31,32)20-9-7-18-6-4-12-25-22(18)17-20/h4,6-10,12,16-17,24,26H,3,5,11,13-15H2,1-2H3