1-[(1S)-1-(2-methoxyphenyl)ethyl]-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea

Systemtic Name: 1-[(1S)-1-(2-methoxyphenyl)ethyl]-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea Openeye Name: 1-[(1S)-1-(2-methoxyphenyl)ethyl]-3-[[4-(1-piperidylsulfonyl)phenyl]methyl]urea CAS Name: 1-[(1S)-1-(2-methoxyphenyl)ethyl]-3-[[4-(1-piperidinylsulfonyl)phenyl]methyl]urea IUPAC Name: 1-[(1S)-1-(2-methoxyphenyl)ethyl]-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea Traditional Name: 1-[(1S)-1-(2-methoxyphenyl)ethyl]-3-(4-piperidinosulfonylbenzyl)urea Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1OC)NC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[C@@H](C1=CC=CC=C1OC)NC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H29N3O4S/c1-17(20-8-4-5-9-21(20)29-2)24-22(26)23-16-18-10-12-19(13-11-18)30(27,28)25-14-6-3-7-15-25/h4-5,8-13,17H,3,6-7,14-16H2,1-2H3,(H2,23,24,26)/t17-/m0/s1