10-methoxy-6-(4-propan-2-ylsulfonylpiperazin-1-yl)benzo[b][1,4]benzoxazepine

Systemtic Name: 10-methoxy-6-(4-propan-2-ylsulfonylpiperazin-1-yl)benzo[b][1,4]benzoxazepine Openeye Name: 6-(4-isopropylsulfonylpiperazin-1-yl)-10-methoxy-benzo[b][1,4]benzoxazepine CAS Name: 10-methoxy-6-(4-propan-2-ylsulfonyl-1-piperazinyl)benzo[b][1,4]benzoxazepine IUPAC Name: 10-methoxy-6-(4-propan-2-ylsulfonylpiperazin-1-yl)benzo[b][1,4]benzoxazepine Traditional Name: 6-(4-isopropylsulfonylpiperazino)-10-methoxy-benzo[b][1,4]benzoxazepine Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=CC=C4OC

Isomeric SMILES

CC(C)S(=O)(=O)N1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=CC=C4OC

InChI

InChI=1S/C21H25N3O4S/c1-15(2)29(25,26)24-13-11-23(12-14-24)21-16-7-6-10-19(27-3)20(16)28-18-9-5-4-8-17(18)22-21/h4-10,15H,11-14H2,1-3H3