methanesulfonic acid; 6-oxidanylidene-N-(2-piperidin-1-ylethyl)-5H-phenanthridine-2-sulfonamide

Systemtic Name: methanesulfonic acid; 6-oxidanylidene-N-(2-piperidin-1-ylethyl)-5H-phenanthridine-2-sulfonamide Openeye Name: methanesulfonic acid; 6-oxo-N-[2-(1-piperidyl)ethyl]-5H-phenanthridine-2-sulfonamide CAS Name: methanesulfonic acid; 6-oxo-N-[2-(1-piperidinyl)ethyl]-5H-phenanthridine-2-sulfonamide IUPAC Name: methanesulfonic acid; 6-oxo-N-(2-piperidin-1-ylethyl)-5H-phenanthridine-2-sulfonamide Traditional Name: 6-keto-N-(2-piperidinoethyl)-5H-phenanthridine-2-sulfonamide; mesylic acid Formula: C21H27N3O6S2 MolecularWeight: 481.58558

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1CCN(CC1)CCNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)C4=CC=CC=C43

Isomeric SMILES

CS(=O)(=O)O.C1CCN(CC1)CCNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H23N3O3S.CH4O3S/c24-20-17-7-3-2-6-16(17)18-14-15(8-9-19(18)22-20)27(25,26)21-10-13-23-11-4-1-5-12-23;1-5(2,3)4/h2-3,6-9,14,21H,1,4-5,10-13H2,(H,22,24);1H3,(H,2,3,4)