1-(2-diethylaminoethyl)-1-[2-(phenylsulfonyl)ethyl]-3-(2-piperidin-1-ylethyl)urea

Systemtic Name: 1-(2-diethylaminoethyl)-1-[2-(phenylsulfonyl)ethyl]-3-(2-piperidin-1-ylethyl)urea Openeye Name: 1-[2-(benzenesulfonyl)ethyl]-1-(2-diethylaminoethyl)-3-[2-(1-piperidyl)ethyl]urea CAS Name: 1-[2-(benzenesulfonyl)ethyl]-1-(2-diethylaminoethyl)-3-[2-(1-piperidinyl)ethyl]urea IUPAC Name: 1-[2-(benzenesulfonyl)ethyl]-1-(2-diethylaminoethyl)-3-(2-piperidin-1-ylethyl)urea Traditional Name: 1-(2-besylethyl)-1-(2-diethylaminoethyl)-3-(2-piperidinoethyl)urea Formula: C22H38N4O3S MolecularWeight: 438.62712

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(CCS(=O)(=O)C1=CC=CC=C1)C(=O)NCCN2CCCCC2

Isomeric SMILES

CCN(CC)CCN(CCS(=O)(=O)C1=CC=CC=C1)C(=O)NCCN2CCCCC2

InChI

InChI=1S/C22H38N4O3S/c1-3-24(4-2)17-18-26(19-20-30(28,29)21-11-7-5-8-12-21)22(27)23-13-16-25-14-9-6-10-15-25/h5,7-8,11-12H,3-4,6,9-10,13-20H2,1-2H3,(H,23,27)