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

Systemtic Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methoxy-5-sulfamoyl-benzamide; methanesulfonic acid Openeye Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methoxy-5-sulfamoyl-benzamide; methanesulfonic acid CAS Name: N-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-2-methoxy-5-sulfamoylbenzamide; methanesulfonic acid IUPAC Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methoxy-5-sulfamoylbenzamide; methanesulfonic acid Traditional Name: N-[3-[4-(3-chlorophenyl)piperazino]propyl]-2-methoxy-5-sulfamoyl-benzamide; mesylic acid Formula: C22H31ClN4O7S2 MolecularWeight: 563.08714

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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)Cl.CS(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN4O4S.CH4O3S/c1-30-20-7-6-18(31(23,28)29)15-19(20)21(27)24-8-3-9-25-10-12-26(13-11-25)17-5-2-4-16(22)14-17;1-5(2,3)4/h2,4-7,14-15H,3,8-13H2,1H3,(H,24,27)(H2,23,28,29);1H3,(H,2,3,4)