1-[1-(3,4-dipropoxyphenyl)ethyl]-3-(1-methylsulfonylpiperidin-4-yl)urea

Systemtic Name: 1-[1-(3,4-dipropoxyphenyl)ethyl]-3-(1-methylsulfonylpiperidin-4-yl)urea Openeye Name: 1-[1-(3,4-dipropoxyphenyl)ethyl]-3-(1-methylsulfonyl-4-piperidyl)urea CAS Name: 1-[1-(3,4-dipropoxyphenyl)ethyl]-3-(1-methylsulfonyl-4-piperidinyl)urea IUPAC Name: 1-[1-(3,4-dipropoxyphenyl)ethyl]-3-(1-methylsulfonylpiperidin-4-yl)urea Traditional Name: 1-[1-(3,4-dipropoxyphenyl)ethyl]-3-(1-mesyl-4-piperidyl)urea Formula: C21H35N3O5S MolecularWeight: 441.5847

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(C)NC(=O)NC2CCN(CC2)S(=O)(=O)C)OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(C)NC(=O)NC2CCN(CC2)S(=O)(=O)C)OCCC

InChI

InChI=1S/C21H35N3O5S/c1-5-13-28-19-8-7-17(15-20(19)29-14-6-2)16(3)22-21(25)23-18-9-11-24(12-10-18)30(4,26)27/h7-8,15-16,18H,5-6,9-14H2,1-4H3,(H2,22,23,25)