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

Systemtic Name: 3-(2-diethylaminoethyl)-1-[2-(phenylsulfonyl)ethyl]-1-(2-pyrrolidin-1-ylethyl)urea Openeye Name: 1-[2-(benzenesulfonyl)ethyl]-3-(2-diethylaminoethyl)-1-(2-pyrrolidin-1-ylethyl)urea CAS Name: 1-[2-(benzenesulfonyl)ethyl]-3-(2-diethylaminoethyl)-1-[2-(1-pyrrolidinyl)ethyl]urea IUPAC Name: 1-[2-(benzenesulfonyl)ethyl]-3-(2-diethylaminoethyl)-1-(2-pyrrolidin-1-ylethyl)urea Traditional Name: 1-(2-besylethyl)-3-(2-diethylaminoethyl)-1-(2-pyrrolidinoethyl)urea Formula: C21H36N4O3S MolecularWeight: 424.60054

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)N(CCN1CCCC1)CCS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCN(CC)CCNC(=O)N(CCN1CCCC1)CCS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H36N4O3S/c1-3-23(4-2)15-12-22-21(26)25(17-16-24-13-8-9-14-24)18-19-29(27,28)20-10-6-5-7-11-20/h5-7,10-11H,3-4,8-9,12-19H2,1-2H3,(H,22,26)