5-[bis(azanyl)methylideneamino]-N-butyl-N-methyl-2-(naphthalen-1-ylsulfonylamino)pentanamide

Systemtic Name: 5-[bis(azanyl)methylideneamino]-N-butyl-N-methyl-2-(naphthalen-1-ylsulfonylamino)pentanamide Openeye Name: N-butyl-5-guanidino-N-methyl-2-(1-naphthylsulfonylamino)pentanamide CAS Name: N-butyl-5-(diaminomethylideneamino)-N-methyl-2-(1-naphthalenylsulfonylamino)pentanamide IUPAC Name: N-butyl-5-(diaminomethylideneamino)-N-methyl-2-(naphthalen-1-ylsulfonylamino)pentanamide Traditional Name: N-butyl-5-guanidino-N-methyl-2-(1-naphthylsulfonylamino)valeramide Formula: C21H31N5O3S MolecularWeight: 433.56754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C1=CC=CC2=CC=CC=C21

Isomeric SMILES

CCCCN(C)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C21H31N5O3S/c1-3-4-15-26(2)20(27)18(12-8-14-24-21(22)23)25-30(28,29)19-13-7-10-16-9-5-6-11-17(16)19/h5-7,9-11,13,18,25H,3-4,8,12,14-15H2,1-2H3,(H4,22,23,24)