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

Systemtic Name: 5-[bis(azanyl)methylideneamino]-N-butyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)pentanamide Openeye Name: N-butyl-5-guanidino-N-methyl-2-(2-naphthylsulfonylamino)pentanamide CAS Name: N-butyl-5-(diaminomethylideneamino)-N-methyl-2-(2-naphthalenylsulfonylamino)pentanamide IUPAC Name: N-butyl-5-(diaminomethylideneamino)-N-methyl-2-(naphthalen-2-ylsulfonylamino)pentanamide Traditional Name: N-butyl-5-guanidino-N-methyl-2-(2-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=CC2=CC=CC=C2C=C1

Isomeric SMILES

CCCCN(C)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1

InChI

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