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

Systemtic Name: 4-[(2S)-2-(anthracen-2-ylsulfonylamino)-3-(azepan-1-yl)-3-oxidanylidene-propyl]-N'-azanyl-benzenecarboximidamide Openeye Name: N'-amino-4-[(2S)-2-(2-anthrylsulfonylamino)-3-(azepan-1-yl)-3-oxo-propyl]benzamidine CAS Name: N'-amino-4-[(2S)-2-(2-anthracenylsulfonylamino)-3-(1-azepanyl)-3-oxopropyl]benzenecarboximidamide IUPAC Name: N'-amino-4-[(2S)-2-(anthracen-2-ylsulfonylamino)-3-(azepan-1-yl)-3-oxopropyl]benzenecarboximidamide Traditional Name: N'-amino-4-[(2S)-2-(2-anthrylsulfonylamino)-3-(azepan-1-yl)-3-keto-propyl]benzamidine Formula: C30H33N5O3S MolecularWeight: 543.67972

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(CC2=CC=C(C=C2)C(=NN)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)/N)NS(=O)(=O)C3=CC4=CC5=CC=CC=C5C=C4C=C3

InChI

InChI=1S/C30H33N5O3S/c31-29(33-32)22-11-9-21(10-12-22)17-28(30(36)35-15-5-1-2-6-16-35)34-39(37,38)27-14-13-25-18-23-7-3-4-8-24(23)19-26(25)20-27/h3-4,7-14,18-20,28,34H,1-2,5-6,15-17,32H2,(H2,31,33)/t28-/m0/s1