N-(4-carbamimidoylmorpholin-2-yl)-N-methyl-4-[3-(naphthalen-2-ylsulfonylamino)-2-oxidanylidene-azepan-1-yl]butanamide

Systemtic Name: N-(4-carbamimidoylmorpholin-2-yl)-N-methyl-4-[3-(naphthalen-2-ylsulfonylamino)-2-oxidanylidene-azepan-1-yl]butanamide Openeye Name: N-(4-carbamimidoylmorpholin-2-yl)-N-methyl-4-[3-(2-naphthylsulfonylamino)-2-oxo-azepan-1-yl]butanamide CAS Name: N-(4-carbamimidoyl-2-morpholinyl)-N-methyl-4-[3-(2-naphthalenylsulfonylamino)-2-oxo-1-azepanyl]butanamide IUPAC Name: N-(4-carbamimidoylmorpholin-2-yl)-N-methyl-4-[3-(naphthalen-2-ylsulfonylamino)-2-oxoazepan-1-yl]butanamide Traditional Name: N-(4-amidinomorpholin-2-yl)-4-[2-keto-3-(2-naphthylsulfonylamino)azepan-1-yl]-N-methyl-butyramide Formula: C26H36N6O5S MolecularWeight: 544.66624

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CN(CCO1)C(=N)N)C(=O)CCCN2CCCCC(C2=O)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CN(C1CN(CCO1)C(=N)N)C(=O)CCCN2CCCCC(C2=O)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H36N6O5S/c1-30(24-18-32(26(27)28)15-16-37-24)23(33)10-6-14-31-13-5-4-9-22(25(31)34)29-38(35,36)21-12-11-19-7-2-3-8-20(19)17-21/h2-3,7-8,11-12,17,22,24,29H,4-6,9-10,13-16,18H2,1H3,(H3,27,28)