N-[4-(1,4-diazepan-1-yl)-2-[ethyl(methylsulfonyl)amino]phenyl]quinoline-8-sulfonamide

Systemtic Name: N-[4-(1,4-diazepan-1-yl)-2-[ethyl(methylsulfonyl)amino]phenyl]quinoline-8-sulfonamide Openeye Name: N-[4-(1,4-diazepan-1-yl)-2-[ethyl(methylsulfonyl)amino]phenyl]quinoline-8-sulfonamide CAS Name: N-[4-(1,4-diazepan-1-yl)-2-[ethyl(methylsulfonyl)amino]phenyl]-8-quinolinesulfonamide IUPAC Name: N-[4-(1,4-diazepan-1-yl)-2-[ethyl(methylsulfonyl)amino]phenyl]quinoline-8-sulfonamide Traditional Name: N-[4-(1,4-diazepan-1-yl)-2-[ethyl(mesyl)amino]phenyl]quinoline-8-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=CC=CC4=C3N=CC=C4)S(=O)(=O)C

Isomeric SMILES

CCN(C1=C(C=CC(=C1)N2CCCNCC2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)S(=O)(=O)C

InChI

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