4-azanyl-2-methoxy-N-[3-methoxy-1-(4-oxidanylidene-4-pyrrolidin-1-yl-butyl)piperidin-4-yl]-5-(methylsulfamoyl)benzamide hydrate

Systemtic Name: 4-azanyl-2-methoxy-N-[3-methoxy-1-(4-oxidanylidene-4-pyrrolidin-1-yl-butyl)piperidin-4-yl]-5-(methylsulfamoyl)benzamide hydrate Openeye Name: 4-amino-2-methoxy-N-[3-methoxy-1-(4-oxo-4-pyrrolidin-1-yl-butyl)-4-piperidyl]-5-(methylsulfamoyl)benzamide hydrate CAS Name: 4-amino-2-methoxy-N-[3-methoxy-1-[4-oxo-4-(1-pyrrolidinyl)butyl]-4-piperidinyl]-5-(methylsulfamoyl)benzamide hydrate IUPAC Name: 4-amino-2-methoxy-N-[3-methoxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)piperidin-4-yl]-5-(methylsulfamoyl)benzamide hydrate Traditional Name: 4-amino-N-[1-(4-keto-4-pyrrolidino-butyl)-3-methoxy-4-piperidyl]-2-methoxy-5-(methylsulfamoyl)benzamide hydrate Formula: C23H39N5O7S MolecularWeight: 529.65006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=C(C=C(C(=C1)C(=O)NC2CCN(CC2OC)CCCC(=O)N3CCCC3)OC)N.O

Isomeric SMILES

CNS(=O)(=O)C1=C(C=C(C(=C1)C(=O)NC2CCN(CC2OC)CCCC(=O)N3CCCC3)OC)N.O

InChI

InChI=1S/C23H37N5O6S.H2O/c1-25-35(31,32)21-13-16(19(33-2)14-17(21)24)23(30)26-18-8-12-27(15-20(18)34-3)9-6-7-22(29)28-10-4-5-11-28;/h13-14,18,20,25H,4-12,15,24H2,1-3H3,(H,26,30);1H2