2-azanyl-5-[bis(azanyl)methylideneamino]-N-(5-piperidin-1-ylsulfonylnaphthalen-2-yl)pentanamide

Systemtic Name: 2-azanyl-5-[bis(azanyl)methylideneamino]-N-(5-piperidin-1-ylsulfonylnaphthalen-2-yl)pentanamide Openeye Name: 2-amino-5-guanidino-N-[5-(1-piperidylsulfonyl)-2-naphthyl]pentanamide CAS Name: 2-amino-5-(diaminomethylideneamino)-N-[5-(1-piperidinylsulfonyl)-2-naphthalenyl]pentanamide IUPAC Name: 2-amino-5-(diaminomethylideneamino)-N-(5-piperidin-1-ylsulfonylnaphthalen-2-yl)pentanamide Traditional Name: 2-amino-5-guanidino-N-(5-piperidinosulfonyl-2-naphthyl)valeramide Formula: C21H30N6O3S MolecularWeight: 446.5663

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC3=C2C=CC(=C3)NC(=O)C(CCCN=C(N)N)N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC3=C2C=CC(=C3)NC(=O)C(CCCN=C(N)N)N

InChI

InChI=1S/C21H30N6O3S/c22-18(7-5-11-25-21(23)24)20(28)26-16-9-10-17-15(14-16)6-4-8-19(17)31(29,30)27-12-2-1-3-13-27/h4,6,8-10,14,18H,1-3,5,7,11-13,22H2,(H,26,28)(H4,23,24,25)