4-(azepan-1-ylsulfonyl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-2-nitro-aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-2-nitro-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-2-nitroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]amine Formula: C24H33N4O5S+ MolecularWeight: 489.60762

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC(C[NH+]3CCOCC3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N[C@H](C[NH+]3CCOCC3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H32N4O5S/c29-28(30)24-18-21(34(31,32)27-12-6-1-2-7-13-27)10-11-22(24)25-23(20-8-4-3-5-9-20)19-26-14-16-33-17-15-26/h3-5,8-11,18,23,25H,1-2,6-7,12-17,19H2/p+1/t23-/m1/s1