[1-[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]-4-methyl-2-naphthalen-2-ylsulfonyl-piperidin-2-yl] hydrogen carbonate

Systemtic Name: [1-[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]-4-methyl-2-naphthalen-2-ylsulfonyl-piperidin-2-yl] hydrogen carbonate Openeye Name: [1-(2,4-diamino-4-oxo-butanoyl)-4-methyl-2-(2-naphthylsulfonyl)-2-piperidyl] hydrogen carbonate CAS Name: carbonic acid [1-(2,4-diamino-1,4-dioxobutyl)-4-methyl-2-(2-naphthalenylsulfonyl)-2-piperidinyl] ester IUPAC Name: [1-(2,4-diamino-4-oxobutanoyl)-4-methyl-2-naphthalen-2-ylsulfonylpiperidin-2-yl] hydrogen carbonate Traditional Name: carbonic acid [1-(2,4-diamino-4-keto-butanoyl)-4-methyl-2-(2-naphthylsulfonyl)-2-piperidyl] ester Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C(C1)(OC(=O)O)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)C(CC(=O)N)N

Isomeric SMILES

CC1CCN(C(C1)(OC(=O)O)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)C(CC(=O)N)N

InChI

InChI=1S/C21H25N3O7S/c1-13-8-9-24(19(26)17(22)11-18(23)25)21(12-13,31-20(27)28)32(29,30)16-7-6-14-4-2-3-5-15(14)10-16/h2-7,10,13,17H,8-9,11-12,22H2,1H3,(H2,23,25)(H,27,28)