(1S)-2-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]amino]-1-(4-nitrophenyl)ethanol

Systemtic Name: (1S)-2-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]amino]-1-(4-nitrophenyl)ethanol Openeye Name: (1S)-2-[4-(azepan-1-ylsulfonyl)-2-nitro-anilino]-1-(4-nitrophenyl)ethanol CAS Name: (1S)-2-[4-(1-azepanylsulfonyl)-2-nitroanilino]-1-(4-nitrophenyl)ethanol IUPAC Name: (1S)-2-[4-(azepan-1-ylsulfonyl)-2-nitroanilino]-1-(4-nitrophenyl)ethanol Traditional Name: (1S)-2-[4-(azepan-1-ylsulfonyl)-2-nitro-anilino]-1-(4-nitrophenyl)ethanol Formula: C20H24N4O7S MolecularWeight: 464.49216

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC(C3=CC=C(C=C3)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC[C@H](C3=CC=C(C=C3)[N+](=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O7S/c25-20(15-5-7-16(8-6-15)23(26)27)14-21-18-10-9-17(13-19(18)24(28)29)32(30,31)22-11-3-1-2-4-12-22/h5-10,13,20-21,25H,1-4,11-12,14H2/t20-/m1/s1