N-(2-azanyl-2-azanylidene-1-piperidin-3-yl-ethyl)-2-[5-(hydroxymethyl)-1-naphthalen-2-ylsulfonyl-3,6-bis(oxidanylidene)piperazin-2-yl]ethanamide

Systemtic Name: N-(2-azanyl-2-azanylidene-1-piperidin-3-yl-ethyl)-2-[5-(hydroxymethyl)-1-naphthalen-2-ylsulfonyl-3,6-bis(oxidanylidene)piperazin-2-yl]ethanamide Openeye Name: N-[2-amino-2-imino-1-(3-piperidyl)ethyl]-2-[5-(hydroxymethyl)-1-(2-naphthylsulfonyl)-3,6-dioxo-piperazin-2-yl]acetamide CAS Name: N-[2-amino-2-imino-1-(3-piperidinyl)ethyl]-2-[5-(hydroxymethyl)-1-(2-naphthalenylsulfonyl)-3,6-dioxo-2-piperazinyl]acetamide IUPAC Name: N-(2-amino-2-imino-1-piperidin-3-ylethyl)-2-[5-(hydroxymethyl)-1-naphthalen-2-ylsulfonyl-3,6-dioxopiperazin-2-yl]acetamide Traditional Name: N-[2-amino-2-imino-1-(3-piperidyl)ethyl]-2-[3,6-diketo-5-methylol-1-(2-naphthylsulfonyl)piperazin-2-yl]acetamide Formula: C24H30N6O6S MolecularWeight: 530.5966

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)C(C(=N)N)NC(=O)CC2C(=O)NC(C(=O)N2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)CO

Isomeric SMILES

C1CC(CNC1)C(C(=N)N)NC(=O)CC2C(=O)NC(C(=O)N2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)CO

InChI

InChI=1S/C24H30N6O6S/c25-22(26)21(16-6-3-9-27-12-16)29-20(32)11-19-23(33)28-18(13-31)24(34)30(19)37(35,36)17-8-7-14-4-1-2-5-15(14)10-17/h1-2,4-5,7-8,10,16,18-19,21,27,31H,3,6,9,11-13H2,(H3,25,26)(H,28,33)(H,29,32)