N-[5-[2-[(3S,4S)-2-azanylidene-3-phenyl-4-propyl-pyrrolidin-1-yl]ethanoyl]-3-tert-butyl-2-oxidanyl-phenyl]-N-methyl-methanesulfonamide hydrobromide

Systemtic Name: N-[5-[2-[(3S,4S)-2-azanylidene-3-phenyl-4-propyl-pyrrolidin-1-yl]ethanoyl]-3-tert-butyl-2-oxidanyl-phenyl]-N-methyl-methanesulfonamide hydrobromide Openeye Name: N-[3-tert-butyl-2-hydroxy-5-[2-[(3S,4S)-2-imino-3-phenyl-4-propyl-pyrrolidin-1-yl]acetyl]phenyl]-N-methyl-methanesulfonamide hydrobromide CAS Name: N-[3-tert-butyl-2-hydroxy-5-[2-[(3S,4S)-2-imino-3-phenyl-4-propyl-1-pyrrolidinyl]-1-oxoethyl]phenyl]-N-methylmethanesulfonamide hydrobromide IUPAC Name: N-[3-tert-butyl-2-hydroxy-5-[2-[(3S,4S)-2-imino-3-phenyl-4-propylpyrrolidin-1-yl]acetyl]phenyl]-N-methylmethanesulfonamide hydrobromide Traditional Name: N-[3-tert-butyl-2-hydroxy-5-[2-[(3S,4S)-2-imino-3-phenyl-4-propyl-pyrrolidino]acetyl]phenyl]-N-methyl-methanesulfonamide hydrobromide Formula: C27H38BrN3O4S MolecularWeight: 580.57732

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CN(C(=N)C1C2=CC=CC=C2)CC(=O)C3=CC(=C(C(=C3)N(C)S(=O)(=O)C)O)C(C)(C)C.Br

Isomeric SMILES

CCC[C@@H]1CN(C(=N)[C@@H]1C2=CC=CC=C2)CC(=O)C3=CC(=C(C(=C3)N(C)S(=O)(=O)C)O)C(C)(C)C.Br

InChI

InChI=1S/C27H37N3O4S.BrH/c1-7-11-19-16-30(26(28)24(19)18-12-9-8-10-13-18)17-23(31)20-14-21(27(2,3)4)25(32)22(15-20)29(5)35(6,33)34;/h8-10,12-15,19,24,28,32H,7,11,16-17H2,1-6H3;1H/t19-,24-;/m1./s1