1-[2-[3-[(4-tert-butylphenyl)sulfonyl-methyl-amino]pyrrolidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea

Systemtic Name: 1-[2-[3-[(4-tert-butylphenyl)sulfonyl-methyl-amino]pyrrolidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea Openeye Name: 1-[2-[3-[(4-tert-butylphenyl)sulfonyl-methyl-amino]pyrrolidin-1-yl]ethyl]-3-(2-methyl-4-quinolyl)urea CAS Name: 1-[2-[3-[(4-tert-butylphenyl)sulfonyl-methylamino]-1-pyrrolidinyl]ethyl]-3-(2-methyl-4-quinolinyl)urea IUPAC Name: 1-[2-[3-[(4-tert-butylphenyl)sulfonyl-methylamino]pyrrolidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea Traditional Name: 1-[2-[3-[(4-tert-butylphenyl)sulfonyl-methyl-amino]pyrrolidino]ethyl]-3-(2-methyl-4-quinolyl)urea Formula: C28H37N5O3S MolecularWeight: 523.69008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)NCCN3CCC(C3)N(C)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)NCCN3CCC(C3)N(C)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C28H37N5O3S/c1-20-18-26(24-8-6-7-9-25(24)30-20)31-27(34)29-15-17-33-16-14-22(19-33)32(5)37(35,36)23-12-10-21(11-13-23)28(2,3)4/h6-13,18,22H,14-17,19H2,1-5H3,(H2,29,30,31,34)