3-tert-butyl-1-[3-[cyclopentylmethyl(phenylsulfonyl)amino]-2-oxidanyl-propyl]-1-(phenylmethyl)urea

Systemtic Name: 3-tert-butyl-1-[3-[cyclopentylmethyl(phenylsulfonyl)amino]-2-oxidanyl-propyl]-1-(phenylmethyl)urea Openeye Name: 1-[3-[benzenesulfonyl(cyclopentylmethyl)amino]-2-hydroxy-propyl]-1-benzyl-3-tert-butyl-urea CAS Name: 1-[3-[benzenesulfonyl(cyclopentylmethyl)amino]-2-hydroxypropyl]-3-tert-butyl-1-(phenylmethyl)urea IUPAC Name: 1-[3-[benzenesulfonyl(cyclopentylmethyl)amino]-2-hydroxypropyl]-1-benzyl-3-tert-butylurea Traditional Name: 1-benzyl-1-[3-[besyl(cyclopentylmethyl)amino]-2-hydroxy-propyl]-3-tert-butyl-urea Formula: C27H39N3O4S MolecularWeight: 501.68126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N(CC1=CC=CC=C1)CC(CN(CC2CCCC2)S(=O)(=O)C3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C)NC(=O)N(CC1=CC=CC=C1)CC(CN(CC2CCCC2)S(=O)(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C27H39N3O4S/c1-27(2,3)28-26(32)29(18-22-12-6-4-7-13-22)20-24(31)21-30(19-23-14-10-11-15-23)35(33,34)25-16-8-5-9-17-25/h4-9,12-13,16-17,23-24,31H,10-11,14-15,18-21H2,1-3H3,(H,28,32)