4-(methylsulfonylamino)-N-[2-(quinolin-2-ylamino)ethyl]benzenesulfonamide hydrate hydrochloride

Systemtic Name: 4-(methylsulfonylamino)-N-[2-(quinolin-2-ylamino)ethyl]benzenesulfonamide hydrate hydrochloride Openeye Name: 4-(methanesulfonamido)-N-[2-(2-quinolylamino)ethyl]benzenesulfonamide hydrate hydrochloride CAS Name: 4-(methanesulfonamido)-N-[2-(2-quinolinylamino)ethyl]benzenesulfonamide hydrate hydrochloride IUPAC Name: 4-(methanesulfonamido)-N-[2-(quinolin-2-ylamino)ethyl]benzenesulfonamide hydrate hydrochloride Traditional Name: 4-(methanesulfonamido)-N-[2-(2-quinolylamino)ethyl]benzenesulfonamide hydrate hydrochloride Formula: C18H23ClN4O5S2 MolecularWeight: 474.98202

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCNC2=NC3=CC=CC=C3C=C2.O.Cl

Isomeric SMILES

CS(=O)(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCNC2=NC3=CC=CC=C3C=C2.O.Cl

InChI

InChI=1S/C18H20N4O4S2.ClH.H2O/c1-27(23,24)22-15-7-9-16(10-8-15)28(25,26)20-13-12-19-18-11-6-14-4-2-3-5-17(14)21-18;;/h2-11,20,22H,12-13H2,1H3,(H,19,21);1H;1H2