2-[(4-methoxyphenyl)methyl]-1,1-bis(oxidanylidene)-5-(2-pyrrolidin-1-ylethyl)-3H-1$l^{6},2,5-benzothiadiazepin-4-one

Systemtic Name: 2-[(4-methoxyphenyl)methyl]-1,1-bis(oxidanylidene)-5-(2-pyrrolidin-1-ylethyl)-3H-1$l^{6},2,5-benzothiadiazepin-4-one Openeye Name: 2-[(4-methoxyphenyl)methyl]-1,1-dioxo-5-(2-pyrrolidin-1-ylethyl)-3H-1$l^{6},2,5-benzothiadiazepin-4-one CAS Name: 2-[(4-methoxyphenyl)methyl]-1,1-dioxo-5-[2-(1-pyrrolidinyl)ethyl]-3H-1$l^{6},2,5-benzothiadiazepin-4-one IUPAC Name: 2-[(4-methoxyphenyl)methyl]-1,1-dioxo-5-(2-pyrrolidin-1-ylethyl)-3H-1$l^{6},2,5-benzothiadiazepin-4-one Traditional Name: 1,1-diketo-2-p-anisyl-5-(2-pyrrolidinoethyl)-3H-1$l^{6},2,5-benzothiadiazepin-4-one Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CC(=O)N(C3=CC=CC=C3S2(=O)=O)CCN4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)CN2CC(=O)N(C3=CC=CC=C3S2(=O)=O)CCN4CCCC4

InChI

InChI=1S/C22H27N3O4S/c1-29-19-10-8-18(9-11-19)16-24-17-22(26)25(15-14-23-12-4-5-13-23)20-6-2-3-7-21(20)30(24,27)28/h2-3,6-11H,4-5,12-17H2,1H3