N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methoxy-phenyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide

Systemtic Name: N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methoxy-phenyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide Openeye Name: N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methoxy-phenyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide CAS Name: N-[5-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-2-methoxyphenyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide IUPAC Name: N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide Traditional Name: N-[5-[(3R,5S)-3,5-dimethylpiperazino]-2-methoxy-phenyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide Formula: C22H30N4O4S MolecularWeight: 446.563

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=CC(=C(C=C2)OC)NS(=O)(=O)C3=CC4=C(C=C3)N(CCO4)C

Isomeric SMILES

C[C@@H]1CN(C[C@@H](N1)C)C2=CC(=C(C=C2)OC)NS(=O)(=O)C3=CC4=C(C=C3)N(CCO4)C

InChI

InChI=1S/C22H30N4O4S/c1-15-13-26(14-16(2)23-15)17-5-8-21(29-4)19(11-17)24-31(27,28)18-6-7-20-22(12-18)30-10-9-25(20)3/h5-8,11-12,15-16,23-24H,9-10,13-14H2,1-4H3/t15-,16+