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

Systemtic Name: 4-[(2S)-2-(anthracen-2-ylsulfonylamino)-3-(azepan-1-yl)-3-oxidanylidene-propyl]benzenecarboximidamide Openeye Name: 4-[(2S)-2-(2-anthrylsulfonylamino)-3-(azepan-1-yl)-3-oxo-propyl]benzamidine CAS Name: 4-[(2S)-2-(2-anthracenylsulfonylamino)-3-(1-azepanyl)-3-oxopropyl]benzenecarboximidamide IUPAC Name: 4-[(2S)-2-(anthracen-2-ylsulfonylamino)-3-(azepan-1-yl)-3-oxopropyl]benzenecarboximidamide Traditional Name: 4-[(2S)-2-(2-anthrylsulfonylamino)-3-(azepan-1-yl)-3-keto-propyl]benzamidine Formula: C30H32N4O3S MolecularWeight: 528.66508

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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=CC5=CC=CC=C5C=C4C=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)[C@H](CC2=CC=C(C=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC5=CC=CC=C5C=C4C=C3

InChI

InChI=1S/C30H32N4O3S/c31-29(32)22-11-9-21(10-12-22)17-28(30(35)34-15-5-1-2-6-16-34)33-38(36,37)27-14-13-25-18-23-7-3-4-8-24(23)19-26(25)20-27/h3-4,7-14,18-20,28,33H,1-2,5-6,15-17H2,(H3,31,32)/t28-/m0/s1