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

Systemtic Name: 3-[(2S)-2-(naphthalen-2-ylsulfonylamino)-3-oxidanylidene-3-(4-piperidin-4-ylpiperidin-1-yl)propyl]benzenecarboximidamide Openeye Name: 3-[(2S)-2-(2-naphthylsulfonylamino)-3-oxo-3-[4-(4-piperidyl)-1-piperidyl]propyl]benzamidine CAS Name: 3-[(2S)-2-(2-naphthalenylsulfonylamino)-3-oxo-3-[4-(4-piperidinyl)-1-piperidinyl]propyl]benzenecarboximidamide IUPAC Name: 3-[(2S)-2-(naphthalen-2-ylsulfonylamino)-3-oxo-3-(4-piperidin-4-ylpiperidin-1-yl)propyl]benzenecarboximidamide Traditional Name: 3-[(2S)-3-keto-2-(2-naphthylsulfonylamino)-3-[4-(4-piperidyl)piperidino]propyl]benzamidine Formula: C30H37N5O3S MolecularWeight: 547.71148

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2CCN(CC2)C(=O)C(CC3=CC=CC(=C3)C(=N)N)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CNCCC1C2CCN(CC2)C(=O)[C@H](CC3=CC=CC(=C3)C(=N)N)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C30H37N5O3S/c31-29(32)26-7-3-4-21(18-26)19-28(30(36)35-16-12-24(13-17-35)23-10-14-33-15-11-23)34-39(37,38)27-9-8-22-5-1-2-6-25(22)20-27/h1-9,18,20,23-24,28,33-34H,10-17,19H2,(H3,31,32)/t28-/m0/s1