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

Systemtic Name: N-(1-azanyl-1-azanylidene-pentan-2-yl)-N-[methyl(piperidin-3-yl)carbamoyl]-2-(naphthalen-2-ylsulfonylamino)propanamide Openeye Name: N-(1-carbamimidoylbutyl)-N-[methyl(3-piperidyl)carbamoyl]-2-(2-naphthylsulfonylamino)propanamide CAS Name: N-(1-amino-1-iminopentan-2-yl)-N-[[methyl(3-piperidinyl)amino]-oxomethyl]-2-(2-naphthalenylsulfonylamino)propanamide IUPAC Name: N-(1-amino-1-iminopentan-2-yl)-N-[methyl(piperidin-3-yl)carbamoyl]-2-(naphthalen-2-ylsulfonylamino)propanamide Traditional Name: N-(1-amidinobutyl)-N-[methyl(3-piperidyl)carbamoyl]-2-(2-naphthylsulfonylamino)propionamide Formula: C25H36N6O4S MolecularWeight: 516.65614

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=N)N)N(C(=O)C(C)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)N(C)C3CCCNC3

Isomeric SMILES

CCCC(C(=N)N)N(C(=O)C(C)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)N(C)C3CCCNC3

InChI

InChI=1S/C25H36N6O4S/c1-4-8-22(23(26)27)31(25(33)30(3)20-11-7-14-28-16-20)24(32)17(2)29-36(34,35)21-13-12-18-9-5-6-10-19(18)15-21/h5-6,9-10,12-13,15,17,20,22,28-29H,4,7-8,11,14,16H2,1-3H3,(H3,26,27)