2-[3-[2,3-bis(oxidanylidene)indol-1-yl]propanoyl-(naphthalen-2-ylsulfonylamino)amino]-2-piperidin-3-yl-ethanimidamide

Systemtic Name: 2-[3-[2,3-bis(oxidanylidene)indol-1-yl]propanoyl-(naphthalen-2-ylsulfonylamino)amino]-2-piperidin-3-yl-ethanimidamide Openeye Name: 2-[3-(2,3-dioxoindolin-1-yl)propanoyl-(2-naphthylsulfonylamino)amino]-2-(3-piperidyl)acetamidine CAS Name: 2-[[3-(2,3-dioxo-1-indolyl)-1-oxopropyl]-(2-naphthalenylsulfonylamino)amino]-2-(3-piperidinyl)ethanimidamide IUPAC Name: 2-[3-(2,3-dioxoindol-1-yl)propanoyl-(naphthalen-2-ylsulfonylamino)amino]-2-piperidin-3-ylethanimidamide Traditional Name: 2-[3-(2,3-diketoindolin-1-yl)propanoyl-(2-naphthylsulfonylamino)amino]-2-(3-piperidyl)acetamidine Formula: C28H30N6O5S MolecularWeight: 562.64

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)C(C(=N)N)N(C(=O)CCN2C3=CC=CC=C3C(=O)C2=O)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CC(CNC1)C(C(=N)N)N(C(=O)CCN2C3=CC=CC=C3C(=O)C2=O)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C28H30N6O5S/c29-27(30)25(20-8-5-14-31-17-20)34(32-40(38,39)21-12-11-18-6-1-2-7-19(18)16-21)24(35)13-15-33-23-10-4-3-9-22(23)26(36)28(33)37/h1-4,6-7,9-12,16,20,25,31-32H,5,8,13-15,17H2,(H3,29,30)