3-[ethyl-[3-[4-(thiophen-3-ylmethyl)phenoxy]propyl]amino]-N-methylsulfonyl-propanamide hydrate

Systemtic Name: 3-[ethyl-[3-[4-(thiophen-3-ylmethyl)phenoxy]propyl]amino]-N-methylsulfonyl-propanamide hydrate Openeye Name: 3-[ethyl-[3-[4-(3-thienylmethyl)phenoxy]propyl]amino]-N-methylsulfonyl-propanamide hydrate CAS Name: 3-[ethyl-[3-[4-(3-thiophenylmethyl)phenoxy]propyl]amino]-N-methylsulfonylpropanamide hydrate IUPAC Name: 3-[ethyl-[3-[4-(thiophen-3-ylmethyl)phenoxy]propyl]amino]-N-methylsulfonylpropanamide hydrate Traditional Name: 3-[ethyl-[3-[4-(3-thenyl)phenoxy]propyl]amino]-N-mesyl-propionamide hydrate Formula: C20H30N2O5S2 MolecularWeight: 442.5926

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCOC1=CC=C(C=C1)CC2=CSC=C2)CCC(=O)NS(=O)(=O)C.O

Isomeric SMILES

CCN(CCCOC1=CC=C(C=C1)CC2=CSC=C2)CCC(=O)NS(=O)(=O)C.O

InChI

InChI=1S/C20H28N2O4S2.H2O/c1-3-22(12-9-20(23)21-28(2,24)25)11-4-13-26-19-7-5-17(6-8-19)15-18-10-14-27-16-18;/h5-8,10,14,16H,3-4,9,11-13,15H2,1-2H3,(H,21,23);1H2