1-[2-azanyl-3-[(4-methoxyphenyl)methylsulfonyl]-3-methyl-butanoyl]pyrrolidine-2-carbonitrile hydrochloride

Systemtic Name: 1-[2-azanyl-3-[(4-methoxyphenyl)methylsulfonyl]-3-methyl-butanoyl]pyrrolidine-2-carbonitrile hydrochloride Openeye Name: 1-[2-amino-3-[(4-methoxyphenyl)methylsulfonyl]-3-methyl-butanoyl]pyrrolidine-2-carbonitrile hydrochloride CAS Name: 1-[2-amino-3-[(4-methoxyphenyl)methylsulfonyl]-3-methyl-1-oxobutyl]-2-pyrrolidinecarbonitrile hydrochloride IUPAC Name: 1-[2-amino-3-[(4-methoxyphenyl)methylsulfonyl]-3-methylbutanoyl]pyrrolidine-2-carbonitrile hydrochloride Traditional Name: 1-(2-amino-3-methyl-3-p-anisylsulfonyl-butanoyl)pyrrolidine-2-carbonitrile hydrochloride Formula: C18H26ClN3O4S MolecularWeight: 415.93474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)N1CCCC1C#N)N)S(=O)(=O)CC2=CC=C(C=C2)OC.Cl

Isomeric SMILES

CC(C)(C(C(=O)N1CCCC1C#N)N)S(=O)(=O)CC2=CC=C(C=C2)OC.Cl

InChI

InChI=1S/C18H25N3O4S.ClH/c1-18(2,16(20)17(22)21-10-4-5-14(21)11-19)26(23,24)12-13-6-8-15(25-3)9-7-13;/h6-9,14,16H,4-5,10,12,20H2,1-3H3;1H