1-(1-adamantylmethyl)-3-[(1S)-1-(4-methylsulfonylphenyl)ethyl]urea

Systemtic Name: 1-(1-adamantylmethyl)-3-[(1S)-1-(4-methylsulfonylphenyl)ethyl]urea Openeye Name: 1-(1-adamantylmethyl)-3-[(1S)-1-(4-methylsulfonylphenyl)ethyl]urea CAS Name: 1-(1-adamantylmethyl)-3-[(1S)-1-(4-methylsulfonylphenyl)ethyl]urea IUPAC Name: 1-(1-adamantylmethyl)-3-[(1S)-1-(4-methylsulfonylphenyl)ethyl]urea Traditional Name: 1-(1-adamantylmethyl)-3-[(1S)-1-(4-mesylphenyl)ethyl]urea Formula: C21H30N2O3S MolecularWeight: 390.5395

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)S(=O)(=O)C)NC(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H30N2O3S/c1-14(18-3-5-19(6-4-18)27(2,25)26)23-20(24)22-13-21-10-15-7-16(11-21)9-17(8-15)12-21/h3-6,14-17H,7-13H2,1-2H3,(H2,22,23,24)/t14-,15?,16?,17?,21?/m0/s1