3-(2-dimethylaminoethyl)-1-[4-(phenylsulfonyl)butyl]-1-propan-2-yl-urea

Systemtic Name: 3-(2-dimethylaminoethyl)-1-[4-(phenylsulfonyl)butyl]-1-propan-2-yl-urea Openeye Name: 1-[4-(benzenesulfonyl)butyl]-3-(2-dimethylaminoethyl)-1-isopropyl-urea CAS Name: 1-[4-(benzenesulfonyl)butyl]-3-(2-dimethylaminoethyl)-1-propan-2-ylurea IUPAC Name: 1-[4-(benzenesulfonyl)butyl]-3-(2-dimethylaminoethyl)-1-propan-2-ylurea Traditional Name: 1-(4-besylbutyl)-3-(2-dimethylaminoethyl)-1-isopropyl-urea Formula: C18H31N3O3S MolecularWeight: 369.52204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCCCS(=O)(=O)C1=CC=CC=C1)C(=O)NCCN(C)C

Isomeric SMILES

CC(C)N(CCCCS(=O)(=O)C1=CC=CC=C1)C(=O)NCCN(C)C

InChI

InChI=1S/C18H31N3O3S/c1-16(2)21(18(22)19-12-14-20(3)4)13-8-9-15-25(23,24)17-10-6-5-7-11-17/h5-7,10-11,16H,8-9,12-15H2,1-4H3,(H,19,22)