N-(2-azanyl-2-azanylidene-1-pyridin-2-yl-ethyl)-N-[methyl(piperidin-3-yl)carbamoyl]-2-(naphthalen-2-ylsulfonylamino)propanamide

Systemtic Name: N-(2-azanyl-2-azanylidene-1-pyridin-2-yl-ethyl)-N-[methyl(piperidin-3-yl)carbamoyl]-2-(naphthalen-2-ylsulfonylamino)propanamide Openeye Name: N-[2-amino-2-imino-1-(2-pyridyl)ethyl]-N-[methyl(3-piperidyl)carbamoyl]-2-(2-naphthylsulfonylamino)propanamide CAS Name: N-[2-amino-2-imino-1-(2-pyridinyl)ethyl]-N-[[methyl(3-piperidinyl)amino]-oxomethyl]-2-(2-naphthalenylsulfonylamino)propanamide IUPAC Name: N-(2-amino-2-imino-1-pyridin-2-ylethyl)-N-[methyl(piperidin-3-yl)carbamoyl]-2-(naphthalen-2-ylsulfonylamino)propanamide Traditional Name: N-[2-amino-2-imino-1-(2-pyridyl)ethyl]-N-[methyl(3-piperidyl)carbamoyl]-2-(2-naphthylsulfonylamino)propionamide Formula: C27H33N7O4S MolecularWeight: 551.66042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C(C1=CC=CC=N1)C(=N)N)C(=O)N(C)C2CCCNC2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C(=O)N(C(C1=CC=CC=N1)C(=N)N)C(=O)N(C)C2CCCNC2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H33N7O4S/c1-18(32-39(37,38)22-13-12-19-8-3-4-9-20(19)16-22)26(35)34(24(25(28)29)23-11-5-6-15-31-23)27(36)33(2)21-10-7-14-30-17-21/h3-6,8-9,11-13,15-16,18,21,24,30,32H,7,10,14,17H2,1-2H3,(H3,28,29)