ethyl N-[4-(phenylsulfonyl)-2-(3-propan-2-ylsulfonylpiperazin-1-yl)phenyl]sulfamate

Systemtic Name: ethyl N-[4-(phenylsulfonyl)-2-(3-propan-2-ylsulfonylpiperazin-1-yl)phenyl]sulfamate Openeye Name: ethyl N-[4-(benzenesulfonyl)-2-(3-isopropylsulfonylpiperazin-1-yl)phenyl]sulfamate CAS Name: N-[4-(benzenesulfonyl)-2-(3-propan-2-ylsulfonyl-1-piperazinyl)phenyl]sulfamic acid ethyl ester IUPAC Name: ethyl N-[4-(benzenesulfonyl)-2-(3-propan-2-ylsulfonylpiperazin-1-yl)phenyl]sulfamate Traditional Name: N-[4-besyl-2-(3-isopropylsulfonylpiperazino)phenyl]sulfamic acid ethyl ester Formula: C21H29N3O7S3 MolecularWeight: 531.66586

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)C(C)C

Isomeric SMILES

CCOS(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)C(C)C

InChI

InChI=1S/C21H29N3O7S3/c1-4-31-34(29,30)23-19-11-10-18(33(27,28)17-8-6-5-7-9-17)14-20(19)24-13-12-22-21(15-24)32(25,26)16(2)3/h5-11,14,16,21-23H,4,12-13,15H2,1-3H3