4-[(2S)-3-(azepan-1-yl)-2-(naphthalen-2-ylsulfonylamino)-3-oxidanylidene-propyl]benzenecarboximidamide

Systemtic Name: 4-[(2S)-3-(azepan-1-yl)-2-(naphthalen-2-ylsulfonylamino)-3-oxidanylidene-propyl]benzenecarboximidamide Openeye Name: 4-[(2S)-3-(azepan-1-yl)-2-(2-naphthylsulfonylamino)-3-oxo-propyl]benzamidine CAS Name: 4-[(2S)-3-(1-azepanyl)-2-(2-naphthalenylsulfonylamino)-3-oxopropyl]benzenecarboximidamide IUPAC Name: 4-[(2S)-3-(azepan-1-yl)-2-(naphthalen-2-ylsulfonylamino)-3-oxopropyl]benzenecarboximidamide Traditional Name: 4-[(2S)-3-(azepan-1-yl)-3-keto-2-(2-naphthylsulfonylamino)propyl]benzamidine Formula: C26H30N4O3S MolecularWeight: 478.6064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(CC2=CC=C(C=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)[C@H](CC2=CC=C(C=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H30N4O3S/c27-25(28)21-11-9-19(10-12-21)17-24(26(31)30-15-5-1-2-6-16-30)29-34(32,33)23-14-13-20-7-3-4-8-22(20)18-23/h3-4,7-14,18,24,29H,1-2,5-6,15-17H2,(H3,27,28)/t24-/m0/s1