methanesulfonic acid; 2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]-5-sulfamoyl-benzamide

Systemtic Name: methanesulfonic acid; 2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]-5-sulfamoyl-benzamide Openeye Name: methanesulfonic acid; 2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]-5-sulfamoyl-benzamide CAS Name: methanesulfonic acid; 2-methoxy-N-[3-(4-phenyl-1-piperazinyl)propyl]-5-sulfamoylbenzamide IUPAC Name: methanesulfonic acid; 2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]-5-sulfamoylbenzamide Traditional Name: mesylic acid; 2-methoxy-N-[3-(4-phenylpiperazino)propyl]-5-sulfamoyl-benzamide Formula: C22H32N4O7S2 MolecularWeight: 528.64208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NCCCN2CCN(CC2)C3=CC=CC=C3.CS(=O)(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NCCCN2CCN(CC2)C3=CC=CC=C3.CS(=O)(=O)O

InChI

InChI=1S/C21H28N4O4S.CH4O3S/c1-29-20-9-8-18(30(22,27)28)16-19(20)21(26)23-10-5-11-24-12-14-25(15-13-24)17-6-3-2-4-7-17;1-5(2,3)4/h2-4,6-9,16H,5,10-15H2,1H3,(H,23,26)(H2,22,27,28);1H3,(H,2,3,4)