(2S)-N-(1-adamantyl)-1-(4-bromophenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(1-adamantyl)-1-(4-bromophenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(1-adamantyl)-1-(4-bromophenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: (2S)-N-(1-adamantyl)-1-(4-bromophenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(1-adamantyl)-1-(4-bromophenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-(1-adamantyl)-1-brosyl-pyrrolidine-2-carboxamide Formula: C21H27BrN2O3S MolecularWeight: 467.41968

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H27BrN2O3S/c22-17-3-5-18(6-4-17)28(26,27)24-7-1-2-19(24)20(25)23-21-11-14-8-15(12-21)10-16(9-14)13-21/h3-6,14-16,19H,1-2,7-13H2,(H,23,25)/t14?,15?,16?,19-,21?/m0/s1