4-(cyclooctylamino)-N-[(2R)-1-methoxypropan-2-yl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-(cyclooctylamino)-N-[(2R)-1-methoxypropan-2-yl]-3-nitro-benzenesulfonamide Openeye Name: 4-(cyclooctylamino)-N-[(1R)-2-methoxy-1-methyl-ethyl]-3-nitro-benzenesulfonamide CAS Name: 4-(cyclooctylamino)-N-[(2R)-1-methoxypropan-2-yl]-3-nitrobenzenesulfonamide IUPAC Name: 4-(cyclooctylamino)-N-[(2R)-1-methoxypropan-2-yl]-3-nitrobenzenesulfonamide Traditional Name: 4-(cyclooctylamino)-N-[(1R)-2-methoxy-1-methyl-ethyl]-3-nitro-benzenesulfonamide Formula: C18H29N3O5S MolecularWeight: 399.50496

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NS(=O)(=O)C1=CC(=C(C=C1)NC2CCCCCCC2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](COC)NS(=O)(=O)C1=CC(=C(C=C1)NC2CCCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C18H29N3O5S/c1-14(13-26-2)20-27(24,25)16-10-11-17(18(12-16)21(22)23)19-15-8-6-4-3-5-7-9-15/h10-12,14-15,19-20H,3-9,13H2,1-2H3/t14-/m1/s1