(2S)-N-(1-adamantylmethyl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(1-adamantylmethyl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(1-adamantylmethyl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-(1-adamantylmethyl)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(1-adamantylmethyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-(1-adamantylmethyl)-1-tosyl-pyrrolidine-2-carboxamide Formula: C23H32N2O3S MolecularWeight: 416.57678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H32N2O3S/c1-16-4-6-20(7-5-16)29(27,28)25-8-2-3-21(25)22(26)24-15-23-12-17-9-18(13-23)11-19(10-17)14-23/h4-7,17-19,21H,2-3,8-15H2,1H3,(H,24,26)/t17?,18?,19?,21-,23?/m0/s1